AN-655/13869039
TL;DR: AN-655/13869039 (CAS 354775-78-3) is a chemical compound with molecular formula C18H15BrN4O2S2 and molecular weight 461.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[6-(5-bromothiophen-2-yl)-3-ethylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone
Also Known As: AN-655/13869039, 1-[6-(5-bromothiophen-2-yl)-3-ethylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone, 1-[6-(5-bromothiophen-2-yl)-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone, 1-[6-(5-BROMO-2-THIENYL)-3-(ETHYLSULFANYL)[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPIN-7(6H)-YL]-1-ETHANONE, 7-acetyl-6-(5-bromo-2-thienyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
| Molecular Formula | C18H15BrN4O2S2 |
|---|---|
| Molecular Weight | 461.98 g/mol |
| LogP | 4.9187 |
| Topological Polar Surface Area | 68.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 461.982 |
| Heavy Atoms | 27 |
| Complexity | 1010.5316 |
Chemical Identifiers
| CAS Number | 354775-78-3 |
|---|---|
| SMILES | CCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC=C(S4)Br)C(=O)C)N=N1 |
Product Overview
AN-655/13869039 (CAS 354775-78-3), with molecular formula C18H15BrN4O2S2 and molecular weight 461.98 g/mol. IUPAC: 1-[6-(5-bromothiophen-2-yl)-3-ethylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone.
Chemical Property Profile of AN-655/13869039
Property Insights of AN-655/13869039
The XLogP value of 4.9187 indicates that AN-655/13869039 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-655/13869039. Following Lipinski's Rule of Five, AN-655/13869039 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-655/13869039?
The CAS number of AN-655/13869039 is 354775-78-3.
What is the molecular formula of AN-655/13869039?
The molecular formula of AN-655/13869039 is C18H15BrN4O2S2.
What is the molecular weight of AN-655/13869039?
The molecular weight of AN-655/13869039 is 461.98 g/mol.
Where can I buy AN-655/13869039?
You can request a quote for AN-655/13869039 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/13869039?
Yes, KEHONG BIO provides custom synthesis services for AN-655/13869039 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.