AN-655/13402005
TL;DR: AN-655/13402005 (CAS 353518-10-2) is a chemical compound with molecular formula C20H18N4O2S and molecular weight 378.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[6-(4-methylphenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone
Also Known As: AN-655/13402005, 7-acetyl-6-(4-methylphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl methyl sulfide, 1-[6-(4-methylphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone, 1-[6-(4-methylphenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone, 1-[6-(4-METHYLPHENYL)-3-(METHYLSULFANYL)[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPIN-7(6H)-YL]-1-ETHANONE
| Molecular Formula | C20H18N4O2S |
|---|---|
| Molecular Weight | 378.12 g/mol |
| LogP | 4.01302 |
| Topological Polar Surface Area | 68.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 378.11505 |
| Heavy Atoms | 27 |
| Complexity | 1007.11847 |
Chemical Identifiers
| CAS Number | 353518-10-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2N(C3=CC=CC=C3C4=C(O2)N=C(N=N4)SC)C(=O)C |
Product Overview
AN-655/13402005 (CAS 353518-10-2), with molecular formula C20H18N4O2S and molecular weight 378.12 g/mol. IUPAC: 1-[6-(4-methylphenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone.
Chemical Property Profile of AN-655/13402005
Property Insights of AN-655/13402005
The XLogP value of 4.01302 indicates that AN-655/13402005 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.21 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-655/13402005. Following Lipinski's Rule of Five, AN-655/13402005 has 0 hydrogen bond donor(s) and 6 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-655/13402005?
The CAS number of AN-655/13402005 is 353518-10-2.
What is the molecular formula of AN-655/13402005?
The molecular formula of AN-655/13402005 is C20H18N4O2S.
What is the molecular weight of AN-655/13402005?
The molecular weight of AN-655/13402005 is 378.12 g/mol.
Where can I buy AN-655/13402005?
You can request a quote for AN-655/13402005 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/13402005?
Yes, KEHONG BIO provides custom synthesis services for AN-655/13402005 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.