4'-Aminobiphenyl-4-carboxylic acid methyl ester
TL;DR: 4'-Aminobiphenyl-4-carboxylic acid methyl ester (CAS 57762-44-4) is a chemical compound with molecular formula C14H13NO2 and molecular weight 227.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-aminophenyl)benzoate
Also Known As: methyl 4'-amino[1,1'-biphenyl]-4-carboxylate, methyl 4'-aminobiphenyl-4-carboxylate, Methyl 4'-amino-[1,1'-biphenyl]-4-carboxylate, methyl 4-(4-aminophenyl)benzoate, TIGESTOL
| Molecular Formula | C14H13NO2 |
|---|---|
| Molecular Weight | 227.09 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.09464 |
| Heavy Atoms | 17 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 57762-44-4 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)N |
| InChIKey | KKPVZEJEFMQVSQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4'-Aminobiphenyl-4-carboxylic acid methyl ester (CAS 57762-44-4), with molecular formula C14H13NO2 and molecular weight 227.09 g/mol. IUPAC: methyl 4-(4-aminophenyl)benzoate.
Chemical Property Profile of 4'-Aminobiphenyl-4-carboxylic acid methyl ester
Property Insights of 4'-Aminobiphenyl-4-carboxylic acid methyl ester
The XLogP value of 3.0 indicates that 4'-Aminobiphenyl-4-carboxylic acid methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.3 Ų, 4'-Aminobiphenyl-4-carboxylic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-Aminobiphenyl-4-carboxylic acid 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 4'-Aminobiphenyl-4-carboxylic acid methyl ester?
The CAS number of 4'-Aminobiphenyl-4-carboxylic acid methyl ester is 57762-44-4.
What is the molecular formula of 4'-Aminobiphenyl-4-carboxylic acid methyl ester?
The molecular formula of 4'-Aminobiphenyl-4-carboxylic acid methyl ester is C14H13NO2.
What is the molecular weight of 4'-Aminobiphenyl-4-carboxylic acid methyl ester?
The molecular weight of 4'-Aminobiphenyl-4-carboxylic acid methyl ester is 227.09 g/mol.
Where can I buy 4'-Aminobiphenyl-4-carboxylic acid methyl ester?
You can request a quote for 4'-Aminobiphenyl-4-carboxylic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Aminobiphenyl-4-carboxylic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4'-Aminobiphenyl-4-carboxylic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.