AH-487/42276993
TL;DR: AH-487/42276993 (CAS 694516-79-5) is a chemical compound with molecular formula C19H16N4O4S2 and molecular weight 428.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-cyano-3-methyl-5-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]thiophene-2-carboxylate
Also Known As: AH-487/42276993, ethyl 4-cyano-3-methyl-5-({[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl}amino)thiophene-2-carboxylate, ethyl 4-cyano-3-methyl-5-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]thiophene-2-carboxylate, ethyl 4-cyano-3-methyl-5-(2-((5-phenyl-1,3,4-oxadiazol-2-yl)thio)acetamido)thiophene-2-carboxylate, ethyl4-cyano-3-methyl-5-({[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]acetyl}amino)-2-thiophenecarboxylate
| Molecular Formula | C19H16N4O4S2 |
|---|---|
| Molecular Weight | 428.06 g/mol |
| LogP | 3.8857 |
| Topological Polar Surface Area | 118.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 428.0613 |
| Heavy Atoms | 29 |
| Complexity | 1069.8173 |
Chemical Identifiers
| CAS Number | 694516-79-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NN=C(O2)C3=CC=CC=C3)C#N)C |
Product Overview
AH-487/42276993 (CAS 694516-79-5), with molecular formula C19H16N4O4S2 and molecular weight 428.06 g/mol. IUPAC: ethyl 4-cyano-3-methyl-5-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]thiophene-2-carboxylate.
Chemical Property Profile of AH-487/42276993
Property Insights of AH-487/42276993
The XLogP value of 3.8857 indicates that AH-487/42276993 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.11 Ų falls within the moderate polarity range, balancing permeability and solubility for AH-487/42276993. Following Lipinski's Rule of Five, AH-487/42276993 has 1 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 AH-487/42276993?
The CAS number of AH-487/42276993 is 694516-79-5.
What is the molecular formula of AH-487/42276993?
The molecular formula of AH-487/42276993 is C19H16N4O4S2.
What is the molecular weight of AH-487/42276993?
The molecular weight of AH-487/42276993 is 428.06 g/mol.
Where can I buy AH-487/42276993?
You can request a quote for AH-487/42276993 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AH-487/42276993?
Yes, KEHONG BIO provides custom synthesis services for AH-487/42276993 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.