AN-989/42064133
TL;DR: AN-989/42064133 (CAS 428464-45-3) is a chemical compound with molecular formula C23H21ClN2O5S and molecular weight 472.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoic acid
Also Known As: AN-989/42064133, 2-[({3-chloro-2-methyl[(4-methylphenyl)sulfonyl]anilino}acetyl)amino]benzoic acid, 2-[[2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoic acid, 2-[[2-(3-chloro-2-methyl-N-tosyl-anilino)acetyl]amino]benzoic acid, 2-({N-(3-chloro-2-methylphenyl)-N-[(4-methylphenyl)sulfonyl]glycyl}amino)benzoic acid
| Molecular Formula | C23H21ClN2O5S |
|---|---|
| Molecular Weight | 472.09 g/mol |
| LogP | 4.48904 |
| Topological Polar Surface Area | 103.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 472.08597 |
| Heavy Atoms | 32 |
| Complexity | 1273.7992 |
Chemical Identifiers
| CAS Number | 428464-45-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=CC=C2C(=O)O)C3=C(C(=CC=C3)Cl)C |
Product Overview
AN-989/42064133 (CAS 428464-45-3), with molecular formula C23H21ClN2O5S and molecular weight 472.09 g/mol. IUPAC: 2-[[2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoic acid.
Chemical Property Profile of AN-989/42064133
Property Insights of AN-989/42064133
The XLogP value of 4.48904 indicates that AN-989/42064133 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.78 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-989/42064133. Following Lipinski's Rule of Five, AN-989/42064133 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 AN-989/42064133?
The CAS number of AN-989/42064133 is 428464-45-3.
What is the molecular formula of AN-989/42064133?
The molecular formula of AN-989/42064133 is C23H21ClN2O5S.
What is the molecular weight of AN-989/42064133?
The molecular weight of AN-989/42064133 is 472.09 g/mol.
Where can I buy AN-989/42064133?
You can request a quote for AN-989/42064133 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-989/42064133?
Yes, KEHONG BIO provides custom synthesis services for AN-989/42064133 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.