AN-655/15120062
TL;DR: AN-655/15120062 (CAS 442644-71-5) is a chemical compound with molecular formula C20H17BrN4O2S and molecular weight 456.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[6-(4-bromophenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one
Also Known As: AN-655/15120062, 6-(4-bromophenyl)-3-(methylsulfanyl)-7-propionyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 1-[6-(4-bromophenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one, 1-[6-(4-BROMOPHENYL)-3-(METHYLSULFANYL)[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPIN-7(6H)-YL]-1-PROPANONE, 1-[6-(4-bromophenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
| Molecular Formula | C20H17BrN4O2S |
|---|---|
| Molecular Weight | 456.03 g/mol |
| LogP | 4.8572 |
| Topological Polar Surface Area | 68.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 456.02557 |
| Heavy Atoms | 28 |
| Complexity | 1028.9692 |
Chemical Identifiers
| CAS Number | 442644-71-5 |
|---|---|
| SMILES | CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC=C(C=C4)Br |
Product Overview
AN-655/15120062 (CAS 442644-71-5), with molecular formula C20H17BrN4O2S and molecular weight 456.03 g/mol. IUPAC: 1-[6-(4-bromophenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one.
Chemical Property Profile of AN-655/15120062
Property Insights of AN-655/15120062
The XLogP value of 4.8572 indicates that AN-655/15120062 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-655/15120062. Following Lipinski's Rule of Five, AN-655/15120062 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-655/15120062?
The CAS number of AN-655/15120062 is 442644-71-5.
What is the molecular formula of AN-655/15120062?
The molecular formula of AN-655/15120062 is C20H17BrN4O2S.
What is the molecular weight of AN-655/15120062?
The molecular weight of AN-655/15120062 is 456.03 g/mol.
Where can I buy AN-655/15120062?
You can request a quote for AN-655/15120062 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/15120062?
Yes, KEHONG BIO provides custom synthesis services for AN-655/15120062 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.