![Methyl 3'-chloro[1,1'-biphenyl]-4-carboxylate structure](/static/products/899/89901-01-9.png)
Methyl 3'-chloro[1,1'-biphenyl]-4-carboxylate
TL;DR: Methyl 3'-chloro[1,1'-biphenyl]-4-carboxylate (CAS 89901-01-9) is a chemical compound with molecular formula C14H11ClO2 and molecular weight 246.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(3-chlorophenyl)benzoate
Also Known As: methyl 3'-chloro[1,1'-biphenyl]-4-carboxylate, Methyl 4-(3-chlorophenyl)benzoate, BB 0222609, Methyl 3'-chloro-[1,1'-biphenyl]-4-carboxylate, [1,1'-Biphenyl]-4-carboxylic acid, 3'-chloro-, methyl ester
| Molecular Formula | C14H11ClO2 |
|---|---|
| Molecular Weight | 246.04 g/mol |
| LogP | 3.7936 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.04475 |
| Heavy Atoms | 17 |
| Complexity | 532.1734 |
Chemical Identifiers
| CAS Number | 89901-01-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2=CC(=CC=C2)Cl |
Product Overview
Methyl 3'-chloro[1,1'-biphenyl]-4-carboxylate (CAS 89901-01-9), with molecular formula C14H11ClO2 and molecular weight 246.04 g/mol. IUPAC: methyl 4-(3-chlorophenyl)benzoate.
Chemical Property Profile of Methyl 3'-chloro[1,1'-biphenyl]-4-carboxylate
Property Insights of Methyl 3'-chloro[1,1'-biphenyl]-4-carboxylate
The XLogP value of 3.7936 indicates that Methyl 3'-chloro[1,1'-biphenyl]-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 3'-chloro[1,1'-biphenyl]-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3'-chloro[1,1'-biphenyl]-4-carboxylate has 0 hydrogen bond donor(s) and 2 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 Methyl 3'-chloro[1,1'-biphenyl]-4-carboxylate?
The CAS number of Methyl 3'-chloro[1,1'-biphenyl]-4-carboxylate is 89901-01-9.
What is the molecular formula of Methyl 3'-chloro[1,1'-biphenyl]-4-carboxylate?
The molecular formula of Methyl 3'-chloro[1,1'-biphenyl]-4-carboxylate is C14H11ClO2.
What is the molecular weight of Methyl 3'-chloro[1,1'-biphenyl]-4-carboxylate?
The molecular weight of Methyl 3'-chloro[1,1'-biphenyl]-4-carboxylate is 246.04 g/mol.
Where can I buy Methyl 3'-chloro[1,1'-biphenyl]-4-carboxylate?
You can request a quote for Methyl 3'-chloro[1,1'-biphenyl]-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3'-chloro[1,1'-biphenyl]-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3'-chloro[1,1'-biphenyl]-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.