A3464/0146941
TL;DR: A3464/0146941 (CAS 696645-63-3) is a chemical compound with molecular formula C18H16ClN3O6 and molecular weight 405.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-acetamidobenzoyl)amino]-3-(2-chloro-5-nitrophenyl)propanoic acid
Also Known As: A3464/0146941, 3-({[4-(acetylamino)phenyl]carbonyl}amino)-3-(2-chloro-5-nitrophenyl)propanoic acid, 3-(4-Acetamidobenzamido)-3-(2-chloro-5-nitrophenyl)propanoic acid, 3-[(4-acetamidobenzoyl)amino]-3-(2-chloro-5-nitrophenyl)propanoic acid, I(2)-[[4-(Acetylamino)benzoyl]amino]-2-chloro-5-nitrobenzenepropanoic acid
| Molecular Formula | C18H16ClN3O6 |
|---|---|
| Molecular Weight | 405.07 g/mol |
| LogP | 3.1524 |
| Topological Polar Surface Area | 138.64 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 405.07275 |
| Heavy Atoms | 28 |
| Complexity | 929.4182 |
Chemical Identifiers
| CAS Number | 696645-63-3 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)C(=O)NC(CC(=O)O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl |
Product Overview
A3464/0146941 (CAS 696645-63-3), with molecular formula C18H16ClN3O6 and molecular weight 405.07 g/mol. IUPAC: 3-[(4-acetamidobenzoyl)amino]-3-(2-chloro-5-nitrophenyl)propanoic acid.
Chemical Property Profile of A3464/0146941
Property Insights of A3464/0146941
The XLogP value of 3.1524 indicates that A3464/0146941 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.64 Ų falls within the moderate polarity range, balancing permeability and solubility for A3464/0146941. Following Lipinski's Rule of Five, A3464/0146941 has 3 hydrogen bond donor(s) and 5 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 A3464/0146941?
The CAS number of A3464/0146941 is 696645-63-3.
What is the molecular formula of A3464/0146941?
The molecular formula of A3464/0146941 is C18H16ClN3O6.
What is the molecular weight of A3464/0146941?
The molecular weight of A3464/0146941 is 405.07 g/mol.
Where can I buy A3464/0146941?
You can request a quote for A3464/0146941 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3464/0146941?
Yes, KEHONG BIO provides custom synthesis services for A3464/0146941 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.