AB00093192-01
TL;DR: AB00093192-01 (CAS 354540-72-0) is a chemical compound with molecular formula C20H21N5OS and molecular weight 379.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butylsulfanyl-6-(6-methyl-2-pyridinyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Also Known As: AB00093192-01, 3-butylsulfanyl-6-(6-methylpyridin-2-yl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 3-(butylsulfanyl)-6-(6-methyl-2-pyridinyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 3-(BUTYLSULFANYL)-6-(6-METHYL-2-PYRIDYL)-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPINE
| Molecular Formula | C20H21N5OS |
|---|---|
| Molecular Weight | 379.15 g/mol |
| LogP | 4.63732 |
| Topological Polar Surface Area | 72.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 379.14667 |
| Heavy Atoms | 27 |
| Complexity | 949.16016 |
Chemical Identifiers
| CAS Number | 354540-72-0 |
|---|---|
| SMILES | CCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=CC(=N4)C)N=N1 |
Product Overview
AB00093192-01 (CAS 354540-72-0), with molecular formula C20H21N5OS and molecular weight 379.15 g/mol. IUPAC: 3-butylsulfanyl-6-(6-methyl-2-pyridinyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine.
Chemical Property Profile of AB00093192-01
Property Insights of AB00093192-01
The XLogP value of 4.63732 indicates that AB00093192-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.82 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00093192-01. Following Lipinski's Rule of Five, AB00093192-01 has 1 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 AB00093192-01?
The CAS number of AB00093192-01 is 354540-72-0.
What is the molecular formula of AB00093192-01?
The molecular formula of AB00093192-01 is C20H21N5OS.
What is the molecular weight of AB00093192-01?
The molecular weight of AB00093192-01 is 379.15 g/mol.
Where can I buy AB00093192-01?
You can request a quote for AB00093192-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00093192-01?
Yes, KEHONG BIO provides custom synthesis services for AB00093192-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.