AN-655/13402044
TL;DR: AN-655/13402044 (CAS 353518-36-2) is a chemical compound with molecular formula C24H20N4O3S and molecular weight 444.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[6-(4-methoxynaphthalen-1-yl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone
Also Known As: AN-655/13402044, 1-[6-(4-methoxynaphthalen-1-yl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone, 1-[6-(4-methoxynaphthalen-1-yl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone, 7-acetyl-6-(4-methoxy-1-naphthyl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
| Molecular Formula | C24H20N4O3S |
|---|---|
| Molecular Weight | 444.13 g/mol |
| LogP | 4.8664 |
| Topological Polar Surface Area | 77.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 444.1256 |
| Heavy Atoms | 32 |
| Complexity | 1344.1375 |
Chemical Identifiers
| CAS Number | 353518-36-2 |
|---|---|
| SMILES | CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC=C(C5=CC=CC=C45)OC |
Product Overview
AN-655/13402044 (CAS 353518-36-2), with molecular formula C24H20N4O3S and molecular weight 444.13 g/mol. IUPAC: 1-[6-(4-methoxynaphthalen-1-yl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone.
Chemical Property Profile of AN-655/13402044
Property Insights of AN-655/13402044
The XLogP value of 4.8664 indicates that AN-655/13402044 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-655/13402044. Following Lipinski's Rule of Five, AN-655/13402044 has 0 hydrogen bond donor(s) and 7 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-655/13402044?
The CAS number of AN-655/13402044 is 353518-36-2.
What is the molecular formula of AN-655/13402044?
The molecular formula of AN-655/13402044 is C24H20N4O3S.
What is the molecular weight of AN-655/13402044?
The molecular weight of AN-655/13402044 is 444.13 g/mol.
Where can I buy AN-655/13402044?
You can request a quote for AN-655/13402044 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/13402044?
Yes, KEHONG BIO provides custom synthesis services for AN-655/13402044 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.