AB01312656-01
TL;DR: AB01312656-01 (CAS 353518-09-9) is a chemical compound with molecular formula C20H17BrN4O3S and molecular weight 472.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[6-(2-bromo-5-methoxyphenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone
Also Known As: AB01312656-01, AN-655/13402004, 1-[6-(2-bromo-5-methoxyphenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone, 1-[6-(2-BROMO-5-METHOXYPHENYL)-3-(METHYLSULFANYL)[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPIN-7(6H)-YL]-1-ETHANONE, 7-acetyl-6-(2-bromo-5-methoxyphenyl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
| Molecular Formula | C20H17BrN4O3S |
|---|---|
| Molecular Weight | 472.02 g/mol |
| LogP | 4.4757 |
| Topological Polar Surface Area | 77.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 472.02048 |
| Heavy Atoms | 29 |
| Complexity | 1095.0715 |
Chemical Identifiers
| CAS Number | 353518-09-9 |
|---|---|
| SMILES | CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=C(C=CC(=C4)OC)Br |
Product Overview
AB01312656-01 (CAS 353518-09-9), with molecular formula C20H17BrN4O3S and molecular weight 472.02 g/mol. IUPAC: 1-[6-(2-bromo-5-methoxyphenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone.
Chemical Property Profile of AB01312656-01
Property Insights of AB01312656-01
The XLogP value of 4.4757 indicates that AB01312656-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.44 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01312656-01. Following Lipinski's Rule of Five, AB01312656-01 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 AB01312656-01?
The CAS number of AB01312656-01 is 353518-09-9.
What is the molecular formula of AB01312656-01?
The molecular formula of AB01312656-01 is C20H17BrN4O3S.
What is the molecular weight of AB01312656-01?
The molecular weight of AB01312656-01 is 472.02 g/mol.
Where can I buy AB01312656-01?
You can request a quote for AB01312656-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01312656-01?
Yes, KEHONG BIO provides custom synthesis services for AB01312656-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.