AH-487/42277132
TL;DR: AH-487/42277132 (CAS 539805-60-2) is a chemical compound with molecular formula C21H21N3O4S2 and molecular weight 443.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AH-487/42277132, ethyl 2-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, A3177/0134531, ethyl 2-({[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ETHYL 2-({2-[(5-PHENYL-1,3,4-OXADIAZOL-2-YL)SULFANYL]ACETYL}AMINO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C21H21N3O4S2 |
|---|---|
| Molecular Weight | 443.10 g/mol |
| LogP | 4.5844 |
| Topological Polar Surface Area | 94.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 443.09735 |
| Heavy Atoms | 30 |
| Complexity | 1045.9612 |
Chemical Identifiers
| CAS Number | 539805-60-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NN=C(O3)C4=CC=CC=C4 |
Product Overview
AH-487/42277132 (CAS 539805-60-2), with molecular formula C21H21N3O4S2 and molecular weight 443.10 g/mol. IUPAC: ethyl 2-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AH-487/42277132
Property Insights of AH-487/42277132
The XLogP value of 4.5844 indicates that AH-487/42277132 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.32 Ų falls within the moderate polarity range, balancing permeability and solubility for AH-487/42277132. Following Lipinski's Rule of Five, AH-487/42277132 has 1 hydrogen bond donor(s) and 8 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-487/42277132?
The CAS number of AH-487/42277132 is 539805-60-2.
What is the molecular formula of AH-487/42277132?
The molecular formula of AH-487/42277132 is C21H21N3O4S2.
What is the molecular weight of AH-487/42277132?
The molecular weight of AH-487/42277132 is 443.10 g/mol.
Where can I buy AH-487/42277132?
You can request a quote for AH-487/42277132 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AH-487/42277132?
Yes, KEHONG BIO provides custom synthesis services for AH-487/42277132 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.