AB00092387-01
TL;DR: AB00092387-01 (CAS 353467-63-7) is a chemical compound with molecular formula C20H20N4O2S and molecular weight 380.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenol
Also Known As: AB00092387-01, 2-(3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenol, 2-[3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
| Molecular Formula | C20H20N4O2S |
|---|---|
| Molecular Weight | 380.13 g/mol |
| LogP | 4.6395 |
| Topological Polar Surface Area | 80.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 380.1307 |
| Heavy Atoms | 27 |
| Complexity | 950.7698 |
Chemical Identifiers
| CAS Number | 353467-63-7 |
|---|---|
| SMILES | CCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=CC=C4O)N=N1 |
Product Overview
AB00092387-01 (CAS 353467-63-7), with molecular formula C20H20N4O2S and molecular weight 380.13 g/mol. IUPAC: 2-(3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenol.
Chemical Property Profile of AB00092387-01
Property Insights of AB00092387-01
The XLogP value of 4.6395 indicates that AB00092387-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.16 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00092387-01. Following Lipinski's Rule of Five, AB00092387-01 has 2 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 AB00092387-01?
The CAS number of AB00092387-01 is 353467-63-7.
What is the molecular formula of AB00092387-01?
The molecular formula of AB00092387-01 is C20H20N4O2S.
What is the molecular weight of AB00092387-01?
The molecular weight of AB00092387-01 is 380.13 g/mol.
Where can I buy AB00092387-01?
You can request a quote for AB00092387-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00092387-01?
Yes, KEHONG BIO provides custom synthesis services for AB00092387-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.