AN-655/13402043
TL;DR: AN-655/13402043 (CAS 353518-35-1) is a chemical compound with molecular formula C25H20N4O3S and molecular weight 456.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-methylsulfanyl-6-(3-phenoxyphenyl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone
Also Known As: AN-655/13402043, 1-[3-methylsulfanyl-6-(3-phenoxyphenyl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone, 1-[3-(methylsulfanyl)-6-(3-phenoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone, 1-[3-(METHYLSULFANYL)-6-(3-PHENOXYPHENYL)[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPIN-7(6H)-YL]-1-ETHANONE, 3-[7-acetyl-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl phenyl ether
| Molecular Formula | C25H20N4O3S |
|---|---|
| Molecular Weight | 456.13 g/mol |
| LogP | 5.4969 |
| Topological Polar Surface Area | 77.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 456.1256 |
| Heavy Atoms | 33 |
| Complexity | 1316.0587 |
Chemical Identifiers
| CAS Number | 353518-35-1 |
|---|---|
| SMILES | CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC(=CC=C4)OC5=CC=CC=C5 |
Product Overview
AN-655/13402043 (CAS 353518-35-1), with molecular formula C25H20N4O3S and molecular weight 456.13 g/mol. IUPAC: 1-[3-methylsulfanyl-6-(3-phenoxyphenyl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone.
Chemical Property Profile of AN-655/13402043
Property Insights of AN-655/13402043
The XLogP value of 5.4969 indicates that AN-655/13402043 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.44 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-655/13402043. Following Lipinski's Rule of Five, AN-655/13402043 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-655/13402043?
The CAS number of AN-655/13402043 is 353518-35-1.
What is the molecular formula of AN-655/13402043?
The molecular formula of AN-655/13402043 is C25H20N4O3S.
What is the molecular weight of AN-655/13402043?
The molecular weight of AN-655/13402043 is 456.13 g/mol.
Where can I buy AN-655/13402043?
You can request a quote for AN-655/13402043 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/13402043?
Yes, KEHONG BIO provides custom synthesis services for AN-655/13402043 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.