AN-655/15002021
TL;DR: AN-655/15002021 (CAS 354786-99-5) is a chemical compound with molecular formula C23H23FN4O2S and molecular weight 438.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[6-(3-fluorophenyl)-3-pentylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone
Also Known As: AN-655/15002021, 7-acetyl-6-(3-fluorophenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl pentyl sulfide, 1-[6-(3-FLUOROPHENYL)-3-(PENTYLSULFANYL)[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPIN-7(6H)-YL]-1-ETHANONE, 1-[6-(3-fluorophenyl)-3-pentylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone, 7-acetyl-6-(3-fluorophenyl)-3-(pentylthio)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
| Molecular Formula | C23H23FN4O2S |
|---|---|
| Molecular Weight | 438.15 g/mol |
| LogP | 5.4041 |
| Topological Polar Surface Area | 68.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 438.1526 |
| Heavy Atoms | 31 |
| Complexity | 1094.6765 |
Chemical Identifiers
| CAS Number | 354786-99-5 |
|---|---|
| SMILES | CCCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC(=CC=C4)F)C(=O)C)N=N1 |
Product Overview
AN-655/15002021 (CAS 354786-99-5), with molecular formula C23H23FN4O2S and molecular weight 438.15 g/mol. IUPAC: 1-[6-(3-fluorophenyl)-3-pentylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone.
Chemical Property Profile of AN-655/15002021
Property Insights of AN-655/15002021
The XLogP value of 5.4041 indicates that AN-655/15002021 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-655/15002021. Following Lipinski's Rule of Five, AN-655/15002021 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-655/15002021?
The CAS number of AN-655/15002021 is 354786-99-5.
What is the molecular formula of AN-655/15002021?
The molecular formula of AN-655/15002021 is C23H23FN4O2S.
What is the molecular weight of AN-655/15002021?
The molecular weight of AN-655/15002021 is 438.15 g/mol.
Where can I buy AN-655/15002021?
You can request a quote for AN-655/15002021 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/15002021?
Yes, KEHONG BIO provides custom synthesis services for AN-655/15002021 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.