AN-655/14766049
TL;DR: AN-655/14766049 (CAS 354785-00-5) is a chemical compound with molecular formula C26H30N4O4S and molecular weight 494.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-butylsulfanyl-6-(3,4-diethoxyphenyl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone
Also Known As: AN-655/14766049, 1-[3-butylsulfanyl-6-(3,4-diethoxyphenyl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone, 1-[3-(butylsulfanyl)-6-(3,4-diethoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone, 1-[3-(BUTYLSULFANYL)-6-(3,4-DIETHOXYPHENYL)[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPIN-7(6H)-YL]-1-ETHANONE, 7-acetyl-3-(butylsulfanyl)-6-(3,4-diethoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
| Molecular Formula | C26H30N4O4S |
|---|---|
| Molecular Weight | 494.20 g/mol |
| LogP | 5.6723 |
| Topological Polar Surface Area | 86.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 494.1988 |
| Heavy Atoms | 35 |
| Complexity | 1189.7634 |
Chemical Identifiers
| CAS Number | 354785-00-5 |
|---|---|
| SMILES | CCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC(=C(C=C4)OCC)OCC)C(=O)C)N=N1 |
Product Overview
AN-655/14766049 (CAS 354785-00-5), with molecular formula C26H30N4O4S and molecular weight 494.20 g/mol. IUPAC: 1-[3-butylsulfanyl-6-(3,4-diethoxyphenyl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone.
Chemical Property Profile of AN-655/14766049
Property Insights of AN-655/14766049
The XLogP value of 5.6723 indicates that AN-655/14766049 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.67 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-655/14766049. Following Lipinski's Rule of Five, AN-655/14766049 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-655/14766049?
The CAS number of AN-655/14766049 is 354785-00-5.
What is the molecular formula of AN-655/14766049?
The molecular formula of AN-655/14766049 is C26H30N4O4S.
What is the molecular weight of AN-655/14766049?
The molecular weight of AN-655/14766049 is 494.20 g/mol.
Where can I buy AN-655/14766049?
You can request a quote for AN-655/14766049 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/14766049?
Yes, KEHONG BIO provides custom synthesis services for AN-655/14766049 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.