AS-871/41421888
TL;DR: AS-871/41421888 (CAS 500277-35-0) is a chemical compound with molecular formula C13H12N6S and molecular weight 284.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
Also Known As: AS-871/41421888, 4-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione, 4-[(1E)-2-(1-methylpyrrol-2-yl)-1-azavinyl]-5-(3-pyridyl)-1,2,4-triazole-3-thi ol, 4-{[(1-methyl-1H-pyrrol-2-yl)methylene]amino}-5-(3-pyridinyl)-4H-1,2,4-triazole-3-thiol, (E)-4-(((1-methyl-1H-pyrrol-2-yl)methylene)amino)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C13H12N6S |
|---|---|
| Molecular Weight | 284.08 g/mol |
| LogP | 2.22339 |
| Topological Polar Surface Area | 63.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.0844 |
| Heavy Atoms | 20 |
| Complexity | 795.6382 |
Chemical Identifiers
| CAS Number | 500277-35-0 |
|---|---|
| SMILES | CN1C=CC=C1/C=N/N2C(=NNC2=S)C3=CN=CC=C3 |
Product Overview
AS-871/41421888 (CAS 500277-35-0), with molecular formula C13H12N6S and molecular weight 284.08 g/mol. IUPAC: 4-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of AS-871/41421888
Property Insights of AS-871/41421888
The XLogP value of 2.22339 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AS-871/41421888. The TPSA of 63.79 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/41421888. Following Lipinski's Rule of Five, AS-871/41421888 has 1 hydrogen bond donor(s) and 4 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-871/41421888?
The CAS number of AS-871/41421888 is 500277-35-0.
What is the molecular formula of AS-871/41421888?
The molecular formula of AS-871/41421888 is C13H12N6S.
What is the molecular weight of AS-871/41421888?
The molecular weight of AS-871/41421888 is 284.08 g/mol.
Where can I buy AS-871/41421888?
You can request a quote for AS-871/41421888 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/41421888?
Yes, KEHONG BIO provides custom synthesis services for AS-871/41421888 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.