(1,1'-Biphenyl)-3-acetic acid, 4'-chloro-5-hydroxy-, methyl ester
TL;DR: (1,1'-Biphenyl)-3-acetic acid, 4'-chloro-5-hydroxy-, methyl ester (CAS 53136-99-5) is a chemical compound with molecular formula C15H13ClO3 and molecular weight 276.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-(4-chlorophenyl)-5-hydroxyphenyl]acetate
Also Known As: Methyl 4'-chloro-5-hydroxy-3-biphenylylacetate, Methyl 4'-chloro-5-hydroxy-(1,1'-biphenyl)-3-acetate, (1,1'-Biphenyl)-3-acetic acid, 4'-chloro-5-hydroxy-, methyl ester, 4'-Chloro-5-hydroxy-(1,1'-biphenyl)-3-acetic acid methyl ester, methyl 2-[3-(4-chlorophenyl)-5-hydroxyphenyl]acetate
| Molecular Formula | C15H13ClO3 |
|---|---|
| Molecular Weight | 276.06 g/mol |
| LogP | 3.4281 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.05533 |
| Heavy Atoms | 19 |
| Complexity | 590.8397 |
Chemical Identifiers
| CAS Number | 53136-99-5 |
|---|---|
| SMILES | COC(=O)CC1=CC(=CC(=C1)O)C2=CC=C(C=C2)Cl |
Product Overview
(1,1'-Biphenyl)-3-acetic acid, 4'-chloro-5-hydroxy-, methyl ester (CAS 53136-99-5), with molecular formula C15H13ClO3 and molecular weight 276.06 g/mol. IUPAC: methyl 2-[3-(4-chlorophenyl)-5-hydroxyphenyl]acetate.
Chemical Property Profile of (1,1'-Biphenyl)-3-acetic acid, 4'-chloro-5-hydroxy-, methyl ester
Property Insights of (1,1'-Biphenyl)-3-acetic acid, 4'-chloro-5-hydroxy-, methyl ester
The XLogP value of 3.4281 indicates that (1,1'-Biphenyl)-3-acetic acid, 4'-chloro-5-hydroxy-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, (1,1'-Biphenyl)-3-acetic acid, 4'-chloro-5-hydroxy-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1,1'-Biphenyl)-3-acetic acid, 4'-chloro-5-hydroxy-, methyl 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 (1,1'-Biphenyl)-3-acetic acid, 4'-chloro-5-hydroxy-, methyl ester?
The CAS number of (1,1'-Biphenyl)-3-acetic acid, 4'-chloro-5-hydroxy-, methyl ester is 53136-99-5.
What is the molecular formula of (1,1'-Biphenyl)-3-acetic acid, 4'-chloro-5-hydroxy-, methyl ester?
The molecular formula of (1,1'-Biphenyl)-3-acetic acid, 4'-chloro-5-hydroxy-, methyl ester is C15H13ClO3.
What is the molecular weight of (1,1'-Biphenyl)-3-acetic acid, 4'-chloro-5-hydroxy-, methyl ester?
The molecular weight of (1,1'-Biphenyl)-3-acetic acid, 4'-chloro-5-hydroxy-, methyl ester is 276.06 g/mol.
Where can I buy (1,1'-Biphenyl)-3-acetic acid, 4'-chloro-5-hydroxy-, methyl ester?
You can request a quote for (1,1'-Biphenyl)-3-acetic acid, 4'-chloro-5-hydroxy-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,1'-Biphenyl)-3-acetic acid, 4'-chloro-5-hydroxy-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for (1,1'-Biphenyl)-3-acetic acid, 4'-chloro-5-hydroxy-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.