Methyl 5-amino-4'-chlorobiphenyl-3-carboxylate
TL;DR: Methyl 5-amino-4'-chlorobiphenyl-3-carboxylate (CAS 958993-35-6) is a chemical compound with molecular formula C14H12ClNO2 and molecular weight 261.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-amino-5-(4-chlorophenyl)benzoate
Also Known As: methyl 3-amino-5-(4-chlorophenyl)benzoate, Methyl 5-amino-4'-chlorobiphenyl-3-carboxylate, A1-47387, Methyl 5-amino-4'-chloro-[1,1'-biphenyl]-3-carboxylate, Methyl 5-amino-4'-chloro[1,1'-biphenyl]-3-carboxylate #
| Molecular Formula | C14H12ClNO2 |
|---|---|
| Molecular Weight | 261.06 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.05566 |
| Heavy Atoms | 18 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 958993-35-6 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)C2=CC=C(C=C2)Cl)N |
| InChIKey | BVOYINRQRWLLEG-UHFFFAOYSA-N |
Product Overview
Methyl 5-amino-4'-chlorobiphenyl-3-carboxylate (CAS 958993-35-6), with molecular formula C14H12ClNO2 and molecular weight 261.06 g/mol. IUPAC: methyl 3-amino-5-(4-chlorophenyl)benzoate.
Chemical Property Profile of Methyl 5-amino-4'-chlorobiphenyl-3-carboxylate
Property Insights of Methyl 5-amino-4'-chlorobiphenyl-3-carboxylate
The XLogP value of 3.3 indicates that Methyl 5-amino-4'-chlorobiphenyl-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.3 Ų, Methyl 5-amino-4'-chlorobiphenyl-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5-amino-4'-chlorobiphenyl-3-carboxylate 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 Methyl 5-amino-4'-chlorobiphenyl-3-carboxylate?
The CAS number of Methyl 5-amino-4'-chlorobiphenyl-3-carboxylate is 958993-35-6.
What is the molecular formula of Methyl 5-amino-4'-chlorobiphenyl-3-carboxylate?
The molecular formula of Methyl 5-amino-4'-chlorobiphenyl-3-carboxylate is C14H12ClNO2.
What is the molecular weight of Methyl 5-amino-4'-chlorobiphenyl-3-carboxylate?
The molecular weight of Methyl 5-amino-4'-chlorobiphenyl-3-carboxylate is 261.06 g/mol.
Where can I buy Methyl 5-amino-4'-chlorobiphenyl-3-carboxylate?
You can request a quote for Methyl 5-amino-4'-chlorobiphenyl-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-amino-4'-chlorobiphenyl-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-amino-4'-chlorobiphenyl-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.