AB00105985-01
TL;DR: AB00105985-01 (CAS 353518-07-7) is a chemical compound with molecular formula C17H13BrN4O2S2 and molecular weight 447.97 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-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone
Also Known As: AB00105985-01, AN-655/13402002, 1-[6-(5-bromothiophen-2-yl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone, 7-acetyl-6-(5-bromo-2-thienyl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
| Molecular Formula | C17H13BrN4O2S2 |
|---|---|
| Molecular Weight | 447.97 g/mol |
| LogP | 4.5286 |
| Topological Polar Surface Area | 68.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 447.96634 |
| Heavy Atoms | 26 |
| Complexity | 994.3992 |
Chemical Identifiers
| CAS Number | 353518-07-7 |
|---|---|
| SMILES | CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC=C(S4)Br |
Product Overview
AB00105985-01 (CAS 353518-07-7), with molecular formula C17H13BrN4O2S2 and molecular weight 447.97 g/mol. IUPAC: 1-[6-(5-bromothiophen-2-yl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone.
Chemical Property Profile of AB00105985-01
Property Insights of AB00105985-01
The XLogP value of 4.5286 indicates that AB00105985-01 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 AB00105985-01. Following Lipinski's Rule of Five, AB00105985-01 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 AB00105985-01?
The CAS number of AB00105985-01 is 353518-07-7.
What is the molecular formula of AB00105985-01?
The molecular formula of AB00105985-01 is C17H13BrN4O2S2.
What is the molecular weight of AB00105985-01?
The molecular weight of AB00105985-01 is 447.97 g/mol.
Where can I buy AB00105985-01?
You can request a quote for AB00105985-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00105985-01?
Yes, KEHONG BIO provides custom synthesis services for AB00105985-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.