A2157/0090634
TL;DR: A2157/0090634 (CAS 346639-01-8) is a chemical compound with molecular formula C20H18ClN3O3S and molecular weight 415.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-oxobutanoate
Also Known As: A2157/0090634, ethyl 2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-3-oxobutanoate, ethyl 2-((5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-3-oxobutanoate, ethyl 2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-oxobutanoate
| Molecular Formula | C20H18ClN3O3S |
|---|---|
| Molecular Weight | 415.08 g/mol |
| LogP | 4.2005 |
| Topological Polar Surface Area | 74.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 415.07574 |
| Heavy Atoms | 28 |
| Complexity | 974.1208 |
Chemical Identifiers
| CAS Number | 346639-01-8 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)C)SC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)Cl |
Product Overview
A2157/0090634 (CAS 346639-01-8), with molecular formula C20H18ClN3O3S and molecular weight 415.08 g/mol. IUPAC: ethyl 2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-oxobutanoate.
Chemical Property Profile of A2157/0090634
Property Insights of A2157/0090634
The XLogP value of 4.2005 indicates that A2157/0090634 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.08 Ų falls within the moderate polarity range, balancing permeability and solubility for A2157/0090634. Following Lipinski's Rule of Five, A2157/0090634 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 A2157/0090634?
The CAS number of A2157/0090634 is 346639-01-8.
What is the molecular formula of A2157/0090634?
The molecular formula of A2157/0090634 is C20H18ClN3O3S.
What is the molecular weight of A2157/0090634?
The molecular weight of A2157/0090634 is 415.08 g/mol.
Where can I buy A2157/0090634?
You can request a quote for A2157/0090634 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2157/0090634?
Yes, KEHONG BIO provides custom synthesis services for A2157/0090634 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.