AB00106497-01
TL;DR: AB00106497-01 (CAS 354775-60-3) is a chemical compound with molecular formula C19H18N4O2S2 and molecular weight 398.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-ethylsulfanyl-6-(3-methylthiophen-2-yl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone
Also Known As: AB00106497-01, AN-655/13869023, 1-[3-ethylsulfanyl-6-(3-methylthiophen-2-yl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone, 1-[3-(ethylsulfanyl)-6-(3-methylthiophen-2-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone, 7-acetyl-6-(3-methyl-2-thienyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl ethyl sulfide
| Molecular Formula | C19H18N4O2S2 |
|---|---|
| Molecular Weight | 398.09 g/mol |
| LogP | 4.46462 |
| Topological Polar Surface Area | 68.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 398.08713 |
| Heavy Atoms | 27 |
| Complexity | 1004.87964 |
Chemical Identifiers
| CAS Number | 354775-60-3 |
|---|---|
| SMILES | CCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=C(C=CS4)C)C(=O)C)N=N1 |
Product Overview
AB00106497-01 (CAS 354775-60-3), with molecular formula C19H18N4O2S2 and molecular weight 398.09 g/mol. IUPAC: 1-[3-ethylsulfanyl-6-(3-methylthiophen-2-yl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone.
Chemical Property Profile of AB00106497-01
Property Insights of AB00106497-01
The XLogP value of 4.46462 indicates that AB00106497-01 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 AB00106497-01. Following Lipinski's Rule of Five, AB00106497-01 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 AB00106497-01?
The CAS number of AB00106497-01 is 354775-60-3.
What is the molecular formula of AB00106497-01?
The molecular formula of AB00106497-01 is C19H18N4O2S2.
What is the molecular weight of AB00106497-01?
The molecular weight of AB00106497-01 is 398.09 g/mol.
Where can I buy AB00106497-01?
You can request a quote for AB00106497-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00106497-01?
Yes, KEHONG BIO provides custom synthesis services for AB00106497-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.