AN-655/13869062
TL;DR: AN-655/13869062 (CAS 354776-15-1) is a chemical compound with molecular formula C22H21ClN4O4S and molecular weight 472.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[6-(5-chloro-2,3-dimethoxyphenyl)-3-ethylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone
Also Known As: AN-655/13869062, 1-[6-(5-chloro-2,3-dimethoxyphenyl)-3-ethylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone, 1-[6-(5-chloro-2,3-dimethoxyphenyl)-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone, 1-[6-(5-CHLORO-2,3-DIMETHOXYPHENYL)-3-(ETHYLSULFANYL)[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPIN-7(6H)-YL]-1-ETHANONE, 7-acetyl-6-(5-chloro-2,3-dimethoxyphenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
| Molecular Formula | C22H21ClN4O4S |
|---|---|
| Molecular Weight | 472.10 g/mol |
| LogP | 4.7653 |
| Topological Polar Surface Area | 86.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 472.0972 |
| Heavy Atoms | 32 |
| Complexity | 1176.663 |
Chemical Identifiers
| CAS Number | 354776-15-1 |
|---|---|
| SMILES | CCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=C(C(=CC(=C4)Cl)OC)OC)C(=O)C)N=N1 |
Product Overview
AN-655/13869062 (CAS 354776-15-1), with molecular formula C22H21ClN4O4S and molecular weight 472.10 g/mol. IUPAC: 1-[6-(5-chloro-2,3-dimethoxyphenyl)-3-ethylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone.
Chemical Property Profile of AN-655/13869062
Property Insights of AN-655/13869062
The XLogP value of 4.7653 indicates that AN-655/13869062 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.67 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-655/13869062. Following Lipinski's Rule of Five, AN-655/13869062 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-655/13869062?
The CAS number of AN-655/13869062 is 354776-15-1.
What is the molecular formula of AN-655/13869062?
The molecular formula of AN-655/13869062 is C22H21ClN4O4S.
What is the molecular weight of AN-655/13869062?
The molecular weight of AN-655/13869062 is 472.10 g/mol.
Where can I buy AN-655/13869062?
You can request a quote for AN-655/13869062 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/13869062?
Yes, KEHONG BIO provides custom synthesis services for AN-655/13869062 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.