3-Biphenylacetic acid, 4'-chloro-5-methoxy-, methyl ester
TL;DR: 3-Biphenylacetic acid, 4'-chloro-5-methoxy-, methyl ester (CAS 53183-84-9) is a chemical compound with molecular formula C16H15ClO3 and molecular weight 290.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-(4-chlorophenyl)-5-methoxyphenyl]acetate
Also Known As: 3-BIPHENYLACETIC ACID, 4'-CHLORO-5-METHOXY-, METHYL ESTER, 4'-Chloro-5-methoxy-3-biphenylacetic acid methyl ester, methyl 2-[3-(4-chlorophenyl)-5-methoxyphenyl]acetate, Methyl (4'-chloro-5-methoxy[1,1'-biphenyl]-3-yl)acetate, methyl 2-{4'-chloro-5-methoxy-[1,1'-biphenyl]-3-yl}acetate
| Molecular Formula | C16H15ClO3 |
|---|---|
| Molecular Weight | 290.07 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 290.07098 |
| Heavy Atoms | 20 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 53183-84-9 |
|---|---|
| SMILES | COC1=CC(=CC(=C1)C2=CC=C(C=C2)Cl)CC(=O)OC |
| InChIKey | QKYQLJGXPIDZKX-UHFFFAOYSA-N |
Product Overview
3-Biphenylacetic acid, 4'-chloro-5-methoxy-, methyl ester (CAS 53183-84-9), with molecular formula C16H15ClO3 and molecular weight 290.07 g/mol. IUPAC: methyl 2-[3-(4-chlorophenyl)-5-methoxyphenyl]acetate.
Chemical Property Profile of 3-Biphenylacetic acid, 4'-chloro-5-methoxy-, methyl ester
Property Insights of 3-Biphenylacetic acid, 4'-chloro-5-methoxy-, methyl ester
The XLogP value of 3.9 indicates that 3-Biphenylacetic acid, 4'-chloro-5-methoxy-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 3-Biphenylacetic acid, 4'-chloro-5-methoxy-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Biphenylacetic acid, 4'-chloro-5-methoxy-, methyl ester has 0 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 3-Biphenylacetic acid, 4'-chloro-5-methoxy-, methyl ester?
The CAS number of 3-Biphenylacetic acid, 4'-chloro-5-methoxy-, methyl ester is 53183-84-9.
What is the molecular formula of 3-Biphenylacetic acid, 4'-chloro-5-methoxy-, methyl ester?
The molecular formula of 3-Biphenylacetic acid, 4'-chloro-5-methoxy-, methyl ester is C16H15ClO3.
What is the molecular weight of 3-Biphenylacetic acid, 4'-chloro-5-methoxy-, methyl ester?
The molecular weight of 3-Biphenylacetic acid, 4'-chloro-5-methoxy-, methyl ester is 290.07 g/mol.
Where can I buy 3-Biphenylacetic acid, 4'-chloro-5-methoxy-, methyl ester?
You can request a quote for 3-Biphenylacetic acid, 4'-chloro-5-methoxy-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Biphenylacetic acid, 4'-chloro-5-methoxy-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Biphenylacetic acid, 4'-chloro-5-methoxy-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.