2-(3-氨基-4-氯苯甲酰)苯甲酸
TL;DR: 2-(3-氨基-4-氯苯甲酰)苯甲酸 (CAS 118-04-7) is a chemical compound with molecular formula C14H10ClNO3 and molecular weight 275.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-氨基-4-氯苯甲酰)苯甲酸
2-(3-amino-4-chlorobenzoyl)benzoic acid
Also Known As: 2-(3-Amino-4-chlorobenzoyl)benzoic acid, null, Benzoic acid, 2-(3-amino-4-chlorobenzoyl)-, 2-(3-Amino-4-chloro-benzoyl)benzoic acid, o-(3-Amino-4-chlorobenzoyl)benzoic acid
| Molecular Formula | C14H10ClNO3 |
|---|---|
| Molecular Weight | 275.03 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 80.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.0349 |
| Heavy Atoms | 19 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 118-04-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)Cl)N)C(=O)O |
| InChIKey | MQECGSWGDQIHHD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(3-氨基-4-氯苯甲酰)苯甲酸 (CAS 118-04-7), with molecular formula C14H10ClNO3 and molecular weight 275.03 g/mol. IUPAC: 2-(3-amino-4-chlorobenzoyl)benzoic acid.
Chemical Property Profile of 2-(3-氨基-4-氯苯甲酰)苯甲酸
Property Insights of 2-(3-氨基-4-氯苯甲酰)苯甲酸
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-氨基-4-氯苯甲酰)苯甲酸. The TPSA of 80.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-氨基-4-氯苯甲酰)苯甲酸. Following Lipinski's Rule of Five, 2-(3-氨基-4-氯苯甲酰)苯甲酸 has 2 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 2-(3-氨基-4-氯苯甲酰)苯甲酸?
The CAS number of 2-(3-氨基-4-氯苯甲酰)苯甲酸 is 118-04-7.
What is the molecular formula of 2-(3-氨基-4-氯苯甲酰)苯甲酸?
The molecular formula of 2-(3-氨基-4-氯苯甲酰)苯甲酸 is C14H10ClNO3.
What is the molecular weight of 2-(3-氨基-4-氯苯甲酰)苯甲酸?
The molecular weight of 2-(3-氨基-4-氯苯甲酰)苯甲酸 is 275.03 g/mol.
Where can I buy 2-(3-氨基-4-氯苯甲酰)苯甲酸?
You can request a quote for 2-(3-氨基-4-氯苯甲酰)苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-氨基-4-氯苯甲酰)苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-氨基-4-氯苯甲酰)苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.