AS-871/42110659
TL;DR: AS-871/42110659 (CAS 615282-58-1) is a chemical compound with molecular formula C20H24N6O3S3 and molecular weight 492.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[[5-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: AS-871/42110659, ethyl 2-[({[4-allyl-5-(2-amino-4-methyl-1,3-thiazol-5-yl)-4H-1,2,4-triazol-3-yl]thio}acetyl)amino]-4,5-dimethyl-3-thiophenecarboxylate, ethyl 2-[[2-[[5-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate, 2-[[2-[[4-allyl-5-(2-amino-4-methyl-thiazol-5-yl)-1,2,4-triazol-3-yl]thio]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester, 2-[[2-[[5-(2-amino-4-methyl-5-thiazolyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester
| Molecular Formula | C20H24N6O3S3 |
|---|---|
| Molecular Weight | 492.11 g/mol |
| LogP | 4.06406 |
| Topological Polar Surface Area | 125.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 492.1072 |
| Heavy Atoms | 32 |
| Complexity | 1163.9543 |
Chemical Identifiers
| CAS Number | 615282-58-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NN=C(N2CC=C)C3=C(N=C(S3)N)C |
Product Overview
AS-871/42110659 (CAS 615282-58-1), with molecular formula C20H24N6O3S3 and molecular weight 492.11 g/mol. IUPAC: ethyl 2-[[2-[[5-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of AS-871/42110659
Property Insights of AS-871/42110659
The XLogP value of 4.06406 indicates that AS-871/42110659 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.02 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/42110659. Following Lipinski's Rule of Five, AS-871/42110659 has 2 hydrogen bond donor(s) and 10 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-871/42110659?
The CAS number of AS-871/42110659 is 615282-58-1.
What is the molecular formula of AS-871/42110659?
The molecular formula of AS-871/42110659 is C20H24N6O3S3.
What is the molecular weight of AS-871/42110659?
The molecular weight of AS-871/42110659 is 492.11 g/mol.
Where can I buy AS-871/42110659?
You can request a quote for AS-871/42110659 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/42110659?
Yes, KEHONG BIO provides custom synthesis services for AS-871/42110659 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.