Propanoic acid, 3-(4'-chlorophenyl)-3-hydroxy-, t-butyl ester
TL;DR: Propanoic acid, 3-(4'-chlorophenyl)-3-hydroxy-, t-butyl ester (CAS 272459-41-3) is a chemical compound with molecular formula C13H17ClO3 and molecular weight 256.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 3-(4-chlorophenyl)-3-hydroxypropanoate
Also Known As: 1,1-Dimethylethyl 4-chloro-beta-hydroxybenZenepropanoate, tert-Butyl 3-(4-chlorophenyl)-3-hydroxypropanoate, 1,1-Dimethylethyl 4-chloro-?-hydroxybenzenepropanoate, tert-Butyl 3-(4-chlorophenyl)-3-hydroxypropanoate #, 1,1-Dimethylethyl 4-chloro-
| Molecular Formula | C13H17ClO3 |
|---|---|
| Molecular Weight | 256.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 256.0866 |
| Heavy Atoms | 17 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 272459-41-3 |
|---|---|
| SMILES | CC(C)(C)OC(=O)CC(C1=CC=C(C=C1)Cl)O |
| InChIKey | JXAQRILJTUCCKS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanoic acid, 3-(4'-chlorophenyl)-3-hydroxy-, t-butyl ester (CAS 272459-41-3), with molecular formula C13H17ClO3 and molecular weight 256.09 g/mol. IUPAC: tert-butyl 3-(4-chlorophenyl)-3-hydroxypropanoate.
Chemical Property Profile of Propanoic acid, 3-(4'-chlorophenyl)-3-hydroxy-, t-butyl ester
Property Insights of Propanoic acid, 3-(4'-chlorophenyl)-3-hydroxy-, t-butyl ester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoic acid, 3-(4'-chlorophenyl)-3-hydroxy-, t-butyl ester. With a topological polar surface area (TPSA) of 46.5 Ų, Propanoic acid, 3-(4'-chlorophenyl)-3-hydroxy-, t-butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, 3-(4'-chlorophenyl)-3-hydroxy-, t-butyl ester has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Propanoic acid, 3-(4'-chlorophenyl)-3-hydroxy-, t-butyl ester?
The CAS number of Propanoic acid, 3-(4'-chlorophenyl)-3-hydroxy-, t-butyl ester is 272459-41-3.
What is the molecular formula of Propanoic acid, 3-(4'-chlorophenyl)-3-hydroxy-, t-butyl ester?
The molecular formula of Propanoic acid, 3-(4'-chlorophenyl)-3-hydroxy-, t-butyl ester is C13H17ClO3.
What is the molecular weight of Propanoic acid, 3-(4'-chlorophenyl)-3-hydroxy-, t-butyl ester?
The molecular weight of Propanoic acid, 3-(4'-chlorophenyl)-3-hydroxy-, t-butyl ester is 256.09 g/mol.
Where can I buy Propanoic acid, 3-(4'-chlorophenyl)-3-hydroxy-, t-butyl ester?
You can request a quote for Propanoic acid, 3-(4'-chlorophenyl)-3-hydroxy-, t-butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, 3-(4'-chlorophenyl)-3-hydroxy-, t-butyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 3-(4'-chlorophenyl)-3-hydroxy-, t-butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.