AH-487/42197955
TL;DR: AH-487/42197955 (CAS 663201-03-4) is a chemical compound with molecular formula C22H25N3O4S2 and molecular weight 459.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AH-487/42197955, ethyl 2-[({[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[[2-[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(2-((3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[({[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C22H25N3O4S2 |
|---|---|
| Molecular Weight | 459.13 g/mol |
| LogP | 4.2559 |
| Topological Polar Surface Area | 101.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 459.12866 |
| Heavy Atoms | 31 |
| Complexity | 1026.739 |
Chemical Identifiers
| CAS Number | 663201-03-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC(=CC(=C3C#N)COC)C |
Product Overview
AH-487/42197955 (CAS 663201-03-4), with molecular formula C22H25N3O4S2 and molecular weight 459.13 g/mol. IUPAC: ethyl 2-[[2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AH-487/42197955
Property Insights of AH-487/42197955
The XLogP value of 4.2559 indicates that AH-487/42197955 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.31 Ų falls within the moderate polarity range, balancing permeability and solubility for AH-487/42197955. Following Lipinski's Rule of Five, AH-487/42197955 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-487/42197955?
The CAS number of AH-487/42197955 is 663201-03-4.
What is the molecular formula of AH-487/42197955?
The molecular formula of AH-487/42197955 is C22H25N3O4S2.
What is the molecular weight of AH-487/42197955?
The molecular weight of AH-487/42197955 is 459.13 g/mol.
Where can I buy AH-487/42197955?
You can request a quote for AH-487/42197955 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AH-487/42197955?
Yes, KEHONG BIO provides custom synthesis services for AH-487/42197955 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.