AN-655/14368021
TL;DR: AN-655/14368021 (CAS 354779-05-8) is a chemical compound with molecular formula C22H22N4O2S and molecular weight 406.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-butylsulfanyl-6-phenyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl)ethanone
Also Known As: AN-655/14368021, 7-acetyl-6-phenyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl butyl sulfide, 1-(3-butylsulfanyl-6-phenyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl)ethanone, 1-[3-(butylsulfanyl)-6-phenyl[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone, 1-[3-(BUTYLSULFANYL)-6-PHENYL[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPIN-7(6H)-YL]-1-ETHANONE
| Molecular Formula | C22H22N4O2S |
|---|---|
| Molecular Weight | 406.15 g/mol |
| LogP | 4.8749 |
| Topological Polar Surface Area | 68.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 406.14636 |
| Heavy Atoms | 29 |
| Complexity | 1012.7039 |
Chemical Identifiers
| CAS Number | 354779-05-8 |
|---|---|
| SMILES | CCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC=CC=C4)C(=O)C)N=N1 |
Product Overview
AN-655/14368021 (CAS 354779-05-8), with molecular formula C22H22N4O2S and molecular weight 406.15 g/mol. IUPAC: 1-(3-butylsulfanyl-6-phenyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl)ethanone.
Chemical Property Profile of AN-655/14368021
Property Insights of AN-655/14368021
The XLogP value of 4.8749 indicates that AN-655/14368021 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.21 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-655/14368021. Following Lipinski's Rule of Five, AN-655/14368021 has 0 hydrogen bond donor(s) and 6 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-655/14368021?
The CAS number of AN-655/14368021 is 354779-05-8.
What is the molecular formula of AN-655/14368021?
The molecular formula of AN-655/14368021 is C22H22N4O2S.
What is the molecular weight of AN-655/14368021?
The molecular weight of AN-655/14368021 is 406.15 g/mol.
Where can I buy AN-655/14368021?
You can request a quote for AN-655/14368021 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/14368021?
Yes, KEHONG BIO provides custom synthesis services for AN-655/14368021 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.