AB00113522-01
TL;DR: AB00113522-01 (CAS 430465-71-7) is a chemical compound with molecular formula C19H15FN4O2S and molecular weight 382.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[6-(2-fluorophenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone
Also Known As: AB00113522-01, AB00113522-02, 1-[6-(2-fluorophenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone, 1-[6-(2-FLUOROPHENYL)-3-(METHYLSULFANYL)[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPIN-7(6H)-YL]-1-ETHANONE, 1-[6-(2-fluorophenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
| Molecular Formula | C19H15FN4O2S |
|---|---|
| Molecular Weight | 382.09 g/mol |
| LogP | 3.8437 |
| Topological Polar Surface Area | 68.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 382.08997 |
| Heavy Atoms | 27 |
| Complexity | 1030.0964 |
Chemical Identifiers
| CAS Number | 430465-71-7 |
|---|---|
| SMILES | CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC=CC=C4F |
Product Overview
AB00113522-01 (CAS 430465-71-7), with molecular formula C19H15FN4O2S and molecular weight 382.09 g/mol. IUPAC: 1-[6-(2-fluorophenyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone.
Chemical Property Profile of AB00113522-01
Property Insights of AB00113522-01
The XLogP value of 3.8437 indicates that AB00113522-01 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 AB00113522-01. Following Lipinski's Rule of Five, AB00113522-01 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 AB00113522-01?
The CAS number of AB00113522-01 is 430465-71-7.
What is the molecular formula of AB00113522-01?
The molecular formula of AB00113522-01 is C19H15FN4O2S.
What is the molecular weight of AB00113522-01?
The molecular weight of AB00113522-01 is 382.09 g/mol.
Where can I buy AB00113522-01?
You can request a quote for AB00113522-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00113522-01?
Yes, KEHONG BIO provides custom synthesis services for AB00113522-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.