2-乙酰氨基-6-氯苯甲酸
TL;DR: 2-乙酰氨基-6-氯苯甲酸 (CAS 19407-42-2) is a chemical compound with molecular formula C9H8ClNO3 and molecular weight 213.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-乙酰氨基-6-氯苯甲酸
2-acetamido-6-chlorobenzoic acid
Also Known As: 2-Acetamido-6-chlorobenzoic acid, 2-chloro-6-acetamidobenzoic acid, 2-(acetylamino)-6-chlorobenzoic acid, 2-(n-acetylamino)-6-chlorobenzoic acid, Cinnamylic acid sodium salt
| Molecular Formula | C9H8ClNO3 |
|---|---|
| Molecular Weight | 213.02 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.01927 |
| Heavy Atoms | 14 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 19407-42-2 |
|---|---|
| SMILES | CC(=O)NC1=C(C(=CC=C1)Cl)C(=O)O |
| InChIKey | VFHSJTHAMJFUCK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-乙酰氨基-6-氯苯甲酸 (CAS 19407-42-2), with molecular formula C9H8ClNO3 and molecular weight 213.02 g/mol. IUPAC: 2-acetamido-6-chlorobenzoic acid.
Chemical Property Profile of 2-乙酰氨基-6-氯苯甲酸
Property Insights of 2-乙酰氨基-6-氯苯甲酸
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-乙酰氨基-6-氯苯甲酸. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-乙酰氨基-6-氯苯甲酸. Following Lipinski's Rule of Five, 2-乙酰氨基-6-氯苯甲酸 has 2 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 2-乙酰氨基-6-氯苯甲酸?
The CAS number of 2-乙酰氨基-6-氯苯甲酸 is 19407-42-2.
What is the molecular formula of 2-乙酰氨基-6-氯苯甲酸?
The molecular formula of 2-乙酰氨基-6-氯苯甲酸 is C9H8ClNO3.
What is the molecular weight of 2-乙酰氨基-6-氯苯甲酸?
The molecular weight of 2-乙酰氨基-6-氯苯甲酸 is 213.02 g/mol.
Where can I buy 2-乙酰氨基-6-氯苯甲酸?
You can request a quote for 2-乙酰氨基-6-氯苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-乙酰氨基-6-氯苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 2-乙酰氨基-6-氯苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.