MedKoo Cat#: 591868 | Name: 4-Isopropoxybenzoic acid
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

4-Isopropoxybenzoic acid is a Selective Inhibitor of Centromere-Associated Protein E.

Chemical Structure

4-Isopropoxybenzoic acid
4-Isopropoxybenzoic acid
CAS#13205-46-4

Theoretical Analysis

MedKoo Cat#: 591868

Name: 4-Isopropoxybenzoic acid

CAS#: 13205-46-4

Chemical Formula: C10H12O3

Exact Mass: 180.0786

Molecular Weight: 180.20

Elemental Analysis: C, 66.65; H, 6.71; O, 26.63

Price and Availability

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5g USD 250.00 2 Weeks
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Related CAS #
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Synonym
4-Isopropoxybenzoic acid; AI3-12104; AI3 12104; AI312104
IUPAC/Chemical Name
4-Isopropoxybenzoic acid
InChi Key
ZVERWTXKKWSSHH-UHFFFAOYSA-N
InChi Code
InChI=1S/C10H12O3/c1-7(2)13-9-5-3-8(4-6-9)10(11)12/h3-7H,1-2H3,(H,11,12)
SMILES Code
O=C(O)C1=CC=C(OC(C)C)C=C1
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.03.00
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 180.20 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Qian X, McDonald A, Zhou HJ, Adams ND, Parrish CA, Duffy KJ, Fitch DM, Tedesco R, Ashcraft LW, Yao B, Jiang H, Huang JK, Marin MV, Aroyan CE, Wang J, Ahmed S, Burgess JL, Chaudhari AM, Donatelli CA, Darcy MG, Ridgers LH, Newlander KA, Schmidt SJ, Chai D, Colón M, Zimmerman MN, Lad L, Sakowicz R, Schauer S, Belmont L, Baliga R, Pierce DW, Finer JT, Wang Z, Morgan BP, Morgans DJ Jr, Auger KR, Sung CM, Carson JD, Luo L, Hugger ED, Copeland RA, Sutton D, Elliott JD, Jackson JR, Wood KW, Dhanak D, Bergnes G, Knight SD. Discovery of the First Potent and Selective Inhibitor of Centromere-Associated Protein E: GSK923295. ACS Med Chem Lett. 2010 Jan 19;1(1):30-4. doi: 10.1021/ml900018m. eCollection 2010 Apr 8. PubMed PMID: 24900171; PubMed Central PMCID: PMC4007900. 2: Kirk TK, Lorenz LF. Oxygenation of 4-alkoxyl groups in alkoxybenzoic acids by Polyporus dichrous. Appl Microbiol. 1974 Feb;27(2):360-7. PubMed PMID: 4823422; PubMed Central PMCID: PMC380036.