AN-655/14614002
TL;DR: AN-655/14614002 (CAS 354782-75-5) is a chemical compound with molecular formula C25H28N4O5S and molecular weight 496.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-butylsulfanyl-6-(2,4,5-trimethoxyphenyl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone
Also Known As: AN-655/14614002, 1-[3-butylsulfanyl-6-(2,4,5-trimethoxyphenyl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone, 1-[3-(butylsulfanyl)-6-(2,4,5-trimethoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone, 1-[3-(BUTYLSULFANYL)-6-(2,4,5-TRIMETHOXYPHENYL)[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPIN-7(6H)-YL]-1-ETHANONE, 7-acetyl-3-(butylsulfanyl)-6-(2,4,5-trimethoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
| Molecular Formula | C25H28N4O5S |
|---|---|
| Molecular Weight | 496.18 g/mol |
| LogP | 4.9007 |
| Topological Polar Surface Area | 95.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 496.17804 |
| Heavy Atoms | 35 |
| Complexity | 1222.4567 |
Chemical Identifiers
| CAS Number | 354782-75-5 |
|---|---|
| SMILES | CCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC(=C(C=C4OC)OC)OC)C(=O)C)N=N1 |
Product Overview
AN-655/14614002 (CAS 354782-75-5), with molecular formula C25H28N4O5S and molecular weight 496.18 g/mol. IUPAC: 1-[3-butylsulfanyl-6-(2,4,5-trimethoxyphenyl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone.
Chemical Property Profile of AN-655/14614002
Property Insights of AN-655/14614002
The XLogP value of 4.9007 indicates that AN-655/14614002 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-655/14614002. Following Lipinski's Rule of Five, AN-655/14614002 has 0 hydrogen bond donor(s) and 9 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-655/14614002?
The CAS number of AN-655/14614002 is 354782-75-5.
What is the molecular formula of AN-655/14614002?
The molecular formula of AN-655/14614002 is C25H28N4O5S.
What is the molecular weight of AN-655/14614002?
The molecular weight of AN-655/14614002 is 496.18 g/mol.
Where can I buy AN-655/14614002?
You can request a quote for AN-655/14614002 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/14614002?
Yes, KEHONG BIO provides custom synthesis services for AN-655/14614002 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.