AS-871/41668460
TL;DR: AS-871/41668460 (CAS 496776-26-2) is a chemical compound with molecular formula C18H13Cl2N3O3S and molecular weight 421.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(1,3-benzodioxol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2,4-dichlorophenyl)ethanone
Also Known As: AS-871/41668460, 2-[[5-(1,3-benzodioxol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2,4-dichlorophenyl)ethanone, 2-{[5-(1,3-benzodioxol-5-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,4-dichlorophenyl)ethanone, 2-(5-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)-4-methyl(1,2,4-triazol-3-ylthio))-1-(2 ,4-dichlorophenyl)ethan-1-one, 2-{[5-(1,3-benzodioxol-5-yl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}-1-(2,4-dichlorophenyl)ethanone
| Molecular Formula | C18H13Cl2N3O3S |
|---|---|
| Molecular Weight | 421.01 g/mol |
| LogP | 4.4926 |
| Topological Polar Surface Area | 66.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 421.00546 |
| Heavy Atoms | 27 |
| Complexity | 1038.6865 |
Chemical Identifiers
| CAS Number | 496776-26-2 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)C2=C(C=C(C=C2)Cl)Cl)C3=CC4=C(C=C3)OCO4 |
Product Overview
AS-871/41668460 (CAS 496776-26-2), with molecular formula C18H13Cl2N3O3S and molecular weight 421.01 g/mol. IUPAC: 2-[[5-(1,3-benzodioxol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2,4-dichlorophenyl)ethanone.
Chemical Property Profile of AS-871/41668460
Property Insights of AS-871/41668460
The XLogP value of 4.4926 indicates that AS-871/41668460 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.24 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/41668460. Following Lipinski's Rule of Five, AS-871/41668460 has 0 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-871/41668460?
The CAS number of AS-871/41668460 is 496776-26-2.
What is the molecular formula of AS-871/41668460?
The molecular formula of AS-871/41668460 is C18H13Cl2N3O3S.
What is the molecular weight of AS-871/41668460?
The molecular weight of AS-871/41668460 is 421.01 g/mol.
Where can I buy AS-871/41668460?
You can request a quote for AS-871/41668460 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/41668460?
Yes, KEHONG BIO provides custom synthesis services for AS-871/41668460 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.