AS-871/42110661
TL;DR: AS-871/42110661 (CAS 615282-59-2) is a chemical compound with molecular formula C17H19N7O3S3 and molecular weight 465.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide
Also Known As: AS-871/42110661, 2-[5-(2-amino-4-methyl(1,3-thiazol-5-yl))-4-prop-2-enyl(1,2,4-triazol-3-ylthio)]-N-(4-sulfamoylphenyl)acetamide, 2-((4-allyl-5-(2-amino-4-methylthiazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide, 2-[[5-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide, 2-[5-(2-amino-4-methyl(1,3-thiazol-5-yl))-4-prop-2-enyl(1,2,4-triazol-3-ylthio )]-N-(4-sulfamoylphenyl)acetamide
| Molecular Formula | C17H19N7O3S3 |
|---|---|
| Molecular Weight | 465.07 g/mol |
| LogP | 1.85642 |
| Topological Polar Surface Area | 158.88 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 465.07114 |
| Heavy Atoms | 30 |
| Complexity | 1183.9052 |
Chemical Identifiers
| CAS Number | 615282-59-2 |
|---|---|
| SMILES | CC1=C(SC(=N1)N)C2=NN=C(N2CC=C)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N |
Product Overview
AS-871/42110661 (CAS 615282-59-2), with molecular formula C17H19N7O3S3 and molecular weight 465.07 g/mol. IUPAC: 2-[[5-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide.
Chemical Property Profile of AS-871/42110661
Property Insights of AS-871/42110661
The XLogP value of 1.85642 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AS-871/42110661. The TPSA of 158.88 Ų indicates high polarity, suggesting AS-871/42110661 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AS-871/42110661 has 3 hydrogen bond donor(s) and 9 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-871/42110661?
The CAS number of AS-871/42110661 is 615282-59-2.
What is the molecular formula of AS-871/42110661?
The molecular formula of AS-871/42110661 is C17H19N7O3S3.
What is the molecular weight of AS-871/42110661?
The molecular weight of AS-871/42110661 is 465.07 g/mol.
Where can I buy AS-871/42110661?
You can request a quote for AS-871/42110661 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/42110661?
Yes, KEHONG BIO provides custom synthesis services for AS-871/42110661 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.