![2-[(3-氯苯基)甲酰氨基]乙酸 structure](/static/products/5772/57728-59-3.webp)
2-[(3-氯苯基)甲酰氨基]乙酸
TL;DR: 2-[(3-氯苯基)甲酰氨基]乙酸 (CAS 57728-59-3) 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-[(3-氯苯基)甲酰氨基]乙酸
2-[(3-chlorobenzoyl)amino]acetic acid
Also Known As: m-chlorohippuric acid, (3-Chloro-benzoylamino)-acetic acid, n-(3-chlorobenzoyl)glycine, m-Chloro Hippuric Acid, 2-[(3-chlorobenzoyl)amino]acetic acid
| Molecular Formula | C9H8ClNO3 |
|---|---|
| Molecular Weight | 213.02 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 213.01927 |
| Heavy Atoms | 14 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 57728-59-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)C(=O)NCC(=O)O |
| InChIKey | ICYUIIJXZHPESK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[(3-氯苯基)甲酰氨基]乙酸 (CAS 57728-59-3), with molecular formula C9H8ClNO3 and molecular weight 213.02 g/mol. IUPAC: 2-[(3-chlorobenzoyl)amino]acetic acid.
Chemical Property Profile of 2-[(3-氯苯基)甲酰氨基]乙酸
Property Insights of 2-[(3-氯苯基)甲酰氨基]乙酸
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3-氯苯基)甲酰氨基]乙酸. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3-氯苯基)甲酰氨基]乙酸. Following Lipinski's Rule of Five, 2-[(3-氯苯基)甲酰氨基]乙酸 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-[(3-氯苯基)甲酰氨基]乙酸?
The CAS number of 2-[(3-氯苯基)甲酰氨基]乙酸 is 57728-59-3.
What is the molecular formula of 2-[(3-氯苯基)甲酰氨基]乙酸?
The molecular formula of 2-[(3-氯苯基)甲酰氨基]乙酸 is C9H8ClNO3.
What is the molecular weight of 2-[(3-氯苯基)甲酰氨基]乙酸?
The molecular weight of 2-[(3-氯苯基)甲酰氨基]乙酸 is 213.02 g/mol.
Where can I buy 2-[(3-氯苯基)甲酰氨基]乙酸?
You can request a quote for 2-[(3-氯苯基)甲酰氨基]乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-氯苯基)甲酰氨基]乙酸?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-氯苯基)甲酰氨基]乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.