AN-655/13402061
TL;DR: AN-655/13402061 (CAS 353518-52-2) is a chemical compound with molecular formula C23H17ClN4O3S and molecular weight 464.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[6-[5-(2-chlorophenyl)furan-2-yl]-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone
Also Known As: AN-655/13402061, 1-[6-[5-(2-chlorophenyl)furan-2-yl]-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone, 1-{6-[5-(2-chlorophenyl)furan-2-yl]-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethanone, 1-[6-[5-(2-CHLOROPHENYL)-2-FURYL]-3-(METHYLSULFANYL)[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPIN-7(6H)-YL]-1-ETHANONE, 7-acetyl-6-[5-(2-chlorophenyl)-2-furyl]-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
| Molecular Formula | C23H17ClN4O3S |
|---|---|
| Molecular Weight | 464.07 g/mol |
| LogP | 5.618 |
| Topological Polar Surface Area | 81.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 464.07098 |
| Heavy Atoms | 32 |
| Complexity | 1326.1067 |
Chemical Identifiers
| CAS Number | 353518-52-2 |
|---|---|
| SMILES | CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC=C(O4)C5=CC=CC=C5Cl |
Product Overview
AN-655/13402061 (CAS 353518-52-2), with molecular formula C23H17ClN4O3S and molecular weight 464.07 g/mol. IUPAC: 1-[6-[5-(2-chlorophenyl)furan-2-yl]-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone.
Chemical Property Profile of AN-655/13402061
Property Insights of AN-655/13402061
The XLogP value of 5.618 indicates that AN-655/13402061 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.35 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-655/13402061. Following Lipinski's Rule of Five, AN-655/13402061 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-655/13402061?
The CAS number of AN-655/13402061 is 353518-52-2.
What is the molecular formula of AN-655/13402061?
The molecular formula of AN-655/13402061 is C23H17ClN4O3S.
What is the molecular weight of AN-655/13402061?
The molecular weight of AN-655/13402061 is 464.07 g/mol.
Where can I buy AN-655/13402061?
You can request a quote for AN-655/13402061 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/13402061?
Yes, KEHONG BIO provides custom synthesis services for AN-655/13402061 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.