(1,1'-Biphenyl)-3,4'-dicarboxylic acid, 3,4'-dimethyl ester
TL;DR: (1,1'-Biphenyl)-3,4'-dicarboxylic acid, 3,4'-dimethyl ester (CAS 55676-76-1) is a chemical compound with molecular formula C16H14O4 and molecular weight 270.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-methoxycarbonylphenyl)benzoate
Also Known As: dimethyl biphenyl-3,4'-dicarboxylate, methyl 3-(4-methoxycarbonylphenyl)benzoate, [1,1'-Biphenyl]-3,4'-dicarboxylic acid, dimethyl ester, Dimethyl [1,1'-biphenyl]-3,4'-dicarboxylate, dimethyl 3,4'-biphenyldicarboxylate
| Molecular Formula | C16H14O4 |
|---|---|
| Molecular Weight | 270.09 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 270.0892 |
| Heavy Atoms | 20 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 55676-76-1 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2=CC(=CC=C2)C(=O)OC |
| InChIKey | WECHJLDENFZQRV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1,1'-Biphenyl)-3,4'-dicarboxylic acid, 3,4'-dimethyl ester (CAS 55676-76-1), with molecular formula C16H14O4 and molecular weight 270.09 g/mol. IUPAC: methyl 3-(4-methoxycarbonylphenyl)benzoate.
Chemical Property Profile of (1,1'-Biphenyl)-3,4'-dicarboxylic acid, 3,4'-dimethyl ester
Property Insights of (1,1'-Biphenyl)-3,4'-dicarboxylic acid, 3,4'-dimethyl ester
The XLogP value of 3.9 indicates that (1,1'-Biphenyl)-3,4'-dicarboxylic acid, 3,4'-dimethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, (1,1'-Biphenyl)-3,4'-dicarboxylic acid, 3,4'-dimethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1,1'-Biphenyl)-3,4'-dicarboxylic acid, 3,4'-dimethyl ester has 0 hydrogen bond donor(s) and 4 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)-3,4'-dicarboxylic acid, 3,4'-dimethyl ester?
The CAS number of (1,1'-Biphenyl)-3,4'-dicarboxylic acid, 3,4'-dimethyl ester is 55676-76-1.
What is the molecular formula of (1,1'-Biphenyl)-3,4'-dicarboxylic acid, 3,4'-dimethyl ester?
The molecular formula of (1,1'-Biphenyl)-3,4'-dicarboxylic acid, 3,4'-dimethyl ester is C16H14O4.
What is the molecular weight of (1,1'-Biphenyl)-3,4'-dicarboxylic acid, 3,4'-dimethyl ester?
The molecular weight of (1,1'-Biphenyl)-3,4'-dicarboxylic acid, 3,4'-dimethyl ester is 270.09 g/mol.
Where can I buy (1,1'-Biphenyl)-3,4'-dicarboxylic acid, 3,4'-dimethyl ester?
You can request a quote for (1,1'-Biphenyl)-3,4'-dicarboxylic acid, 3,4'-dimethyl 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)-3,4'-dicarboxylic acid, 3,4'-dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for (1,1'-Biphenyl)-3,4'-dicarboxylic acid, 3,4'-dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.