AS-871/43387253
TL;DR: AS-871/43387253 (CAS 691393-21-2) is a chemical compound with molecular formula C15H18N4O3S and molecular weight 334.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one
Also Known As: AS-871/43387253, 4-[(3-methoxy-4-propoxybenzylidene)amino]-6-methyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one, 4-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one, 4-[(1E)-2-(3-methoxy-4-propoxyphenyl)-1-azavinyl]-6-methyl-3-thioxo-2H-1,2,4-t riazin-5-one
| Molecular Formula | C15H18N4O3S |
|---|---|
| Molecular Weight | 334.11 g/mol |
| LogP | 2.28891 |
| Topological Polar Surface Area | 81.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 334.10995 |
| Heavy Atoms | 23 |
| Complexity | 826.2022 |
Chemical Identifiers
| CAS Number | 691393-21-2 |
|---|---|
| SMILES | CCCOC1=C(C=C(C=C1)/C=N/N2C(=O)C(=NNC2=S)C)OC |
Product Overview
AS-871/43387253 (CAS 691393-21-2), with molecular formula C15H18N4O3S and molecular weight 334.11 g/mol. IUPAC: 4-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one.
Chemical Property Profile of AS-871/43387253
Property Insights of AS-871/43387253
The XLogP value of 2.28891 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AS-871/43387253. The TPSA of 81.5 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/43387253. Following Lipinski's Rule of Five, AS-871/43387253 has 1 hydrogen bond donor(s) and 6 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 AS-871/43387253?
The CAS number of AS-871/43387253 is 691393-21-2.
What is the molecular formula of AS-871/43387253?
The molecular formula of AS-871/43387253 is C15H18N4O3S.
What is the molecular weight of AS-871/43387253?
The molecular weight of AS-871/43387253 is 334.11 g/mol.
Where can I buy AS-871/43387253?
You can request a quote for AS-871/43387253 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/43387253?
Yes, KEHONG BIO provides custom synthesis services for AS-871/43387253 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.