AS-871/42949299
TL;DR: AS-871/42949299 (CAS 467244-46-8) is a chemical compound with molecular formula C17H25N5S and molecular weight 331.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butyl-4-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: AS-871/42949299, 3-butyl-4-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione, 5-butyl-4-[(E)-{[4-(diethylamino)phenyl]methylidene}amino]-4H-1,2,4-triazole-3-thiol, 5-butyl-4-{[4-(diethylamino)benzylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfide, 4-{(1E)-2-[4-(diethylamino)phenyl]-1-azavinyl}-5-butyl-1,2,4-triazole-3-thiol
| Molecular Formula | C17H25N5S |
|---|---|
| Molecular Weight | 331.18 g/mol |
| LogP | 4.01169 |
| Topological Polar Surface Area | 49.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 331.18307 |
| Heavy Atoms | 23 |
| Complexity | 679.75446 |
Chemical Identifiers
| CAS Number | 467244-46-8 |
|---|---|
| SMILES | CCCCC1=NNC(=S)N1/N=C/C2=CC=C(C=C2)N(CC)CC |
Product Overview
AS-871/42949299 (CAS 467244-46-8), with molecular formula C17H25N5S and molecular weight 331.18 g/mol. IUPAC: 3-butyl-4-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of AS-871/42949299
Property Insights of AS-871/42949299
The XLogP value of 4.01169 indicates that AS-871/42949299 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.21 Ų, AS-871/42949299 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AS-871/42949299 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-871/42949299?
The CAS number of AS-871/42949299 is 467244-46-8.
What is the molecular formula of AS-871/42949299?
The molecular formula of AS-871/42949299 is C17H25N5S.
What is the molecular weight of AS-871/42949299?
The molecular weight of AS-871/42949299 is 331.18 g/mol.
Where can I buy AS-871/42949299?
You can request a quote for AS-871/42949299 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/42949299?
Yes, KEHONG BIO provides custom synthesis services for AS-871/42949299 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.