AN-655/13401030
TL;DR: AN-655/13401030 (CAS 353518-04-4) is a chemical compound with molecular formula C19H14ClN5O4S and molecular weight 443.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[6-(4-chloro-3-nitrophenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone
Also Known As: AN-655/13401030, 7-acetyl-6-{4-chloro-3-nitrophenyl}-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 1-[6-(4-chloro-3-nitrophenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone
| Molecular Formula | C19H14ClN5O4S |
|---|---|
| Molecular Weight | 443.05 g/mol |
| LogP | 4.2662 |
| Topological Polar Surface Area | 111.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 443.0455 |
| Heavy Atoms | 30 |
| Complexity | 1175.4117 |
Chemical Identifiers
| CAS Number | 353518-04-4 |
|---|---|
| SMILES | CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC(=C(C=C4)Cl)[N+](=O)[O-] |
Product Overview
AN-655/13401030 (CAS 353518-04-4), with molecular formula C19H14ClN5O4S and molecular weight 443.05 g/mol. IUPAC: 1-[6-(4-chloro-3-nitrophenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone.
Chemical Property Profile of AN-655/13401030
Property Insights of AN-655/13401030
The XLogP value of 4.2662 indicates that AN-655/13401030 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.35 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-655/13401030. Following Lipinski's Rule of Five, AN-655/13401030 has 0 hydrogen bond donor(s) and 8 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-655/13401030?
The CAS number of AN-655/13401030 is 353518-04-4.
What is the molecular formula of AN-655/13401030?
The molecular formula of AN-655/13401030 is C19H14ClN5O4S.
What is the molecular weight of AN-655/13401030?
The molecular weight of AN-655/13401030 is 443.05 g/mol.
Where can I buy AN-655/13401030?
You can request a quote for AN-655/13401030 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/13401030?
Yes, KEHONG BIO provides custom synthesis services for AN-655/13401030 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.