AB00687931-06
TL;DR: AB00687931-06 (CAS 896342-55-5) is a chemical compound with molecular formula C20H22N4O4S and molecular weight 414.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
Also Known As: AB00687931-06, F2543-0714, N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl}sulfanyl)acetamide, N-(3,4-dimethoxyphenethyl)-2-((9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
| Molecular Formula | C20H22N4O4S |
|---|---|
| Molecular Weight | 414.14 g/mol |
| LogP | 1.86612 |
| Topological Polar Surface Area | 94.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 414.13617 |
| Heavy Atoms | 29 |
| Complexity | 1083.7545 |
Chemical Identifiers
| CAS Number | 896342-55-5 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC(=NC2=O)SCC(=O)NCCC3=CC(=C(C=C3)OC)OC |
Product Overview
AB00687931-06 (CAS 896342-55-5), with molecular formula C20H22N4O4S and molecular weight 414.14 g/mol. IUPAC: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide.
Chemical Property Profile of AB00687931-06
Property Insights of AB00687931-06
The XLogP value of 1.86612 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00687931-06. The TPSA of 94.82 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00687931-06. Following Lipinski's Rule of Five, AB00687931-06 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 AB00687931-06?
The CAS number of AB00687931-06 is 896342-55-5.
What is the molecular formula of AB00687931-06?
The molecular formula of AB00687931-06 is C20H22N4O4S.
What is the molecular weight of AB00687931-06?
The molecular weight of AB00687931-06 is 414.14 g/mol.
Where can I buy AB00687931-06?
You can request a quote for AB00687931-06 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00687931-06?
Yes, KEHONG BIO provides custom synthesis services for AB00687931-06 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.