AB01237589-02
TL;DR: AB01237589-02 (CAS 430463-81-3) is a chemical compound with molecular formula C20H16N4O4S and molecular weight 408.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[6-(1,3-benzodioxol-5-yl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone
Also Known As: AB01237589-02, 1-[6-(1,3-benzodioxol-5-yl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone, 1-[6-(1,3-benzodioxol-5-yl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
| Molecular Formula | C20H16N4O4S |
|---|---|
| Molecular Weight | 408.09 g/mol |
| LogP | 3.4333 |
| Topological Polar Surface Area | 86.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 408.08923 |
| Heavy Atoms | 29 |
| Complexity | 1123.3854 |
Chemical Identifiers
| CAS Number | 430463-81-3 |
|---|---|
| SMILES | CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC5=C(C=C4)OCO5 |
Product Overview
AB01237589-02 (CAS 430463-81-3), with molecular formula C20H16N4O4S and molecular weight 408.09 g/mol. IUPAC: 1-[6-(1,3-benzodioxol-5-yl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone.
Chemical Property Profile of AB01237589-02
Property Insights of AB01237589-02
The XLogP value of 3.4333 indicates that AB01237589-02 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.67 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01237589-02. Following Lipinski's Rule of Five, AB01237589-02 has 0 hydrogen bond donor(s) and 8 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 AB01237589-02?
The CAS number of AB01237589-02 is 430463-81-3.
What is the molecular formula of AB01237589-02?
The molecular formula of AB01237589-02 is C20H16N4O4S.
What is the molecular weight of AB01237589-02?
The molecular weight of AB01237589-02 is 408.09 g/mol.
Where can I buy AB01237589-02?
You can request a quote for AB01237589-02 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01237589-02?
Yes, KEHONG BIO provides custom synthesis services for AB01237589-02 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.