methyl 2-((3-cyano-6-methyl-5-(phenylcarbamoyl)-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl)thio)acetate
TL;DR: methyl 2-((3-cyano-6-methyl-5-(phenylcarbamoyl)-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl)thio)acetate (CAS 201273-80-5) is a chemical compound with molecular formula C21H19N3O3S2 and molecular weight 425.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[3-cyano-6-methyl-5-(phenylcarbamoyl)-4-thiophen-2-yl-1,4-dihydropyridin-2-yl]sulfanyl]acetate
Also Known As: methyl 2-((3-cyano-6-methyl-5-(phenylcarbamoyl)-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl)thio)acetate, methyl {[3-cyano-6-methyl-5-(phenylcarbamoyl)-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl]sulfanyl}acetate, methyl 2-[[3-cyano-6-methyl-5-(phenylcarbamoyl)-4-thiophen-2-yl-1,4-dihydropyridin-2-yl]sulfanyl]acetate
| Molecular Formula | C21H19N3O3S2 |
|---|---|
| Molecular Weight | 425.09 g/mol |
| LogP | 3.98898 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 425.0868 |
| Heavy Atoms | 29 |
| Complexity | 1005.54724 |
Chemical Identifiers
| CAS Number | 201273-80-5 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)OC)C#N)C2=CC=CS2)C(=O)NC3=CC=CC=C3 |
Product Overview
methyl 2-((3-cyano-6-methyl-5-(phenylcarbamoyl)-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl)thio)acetate (CAS 201273-80-5), with molecular formula C21H19N3O3S2 and molecular weight 425.09 g/mol. IUPAC: methyl 2-[[3-cyano-6-methyl-5-(phenylcarbamoyl)-4-thiophen-2-yl-1,4-dihydropyridin-2-yl]sulfanyl]acetate.
Chemical Property Profile of methyl 2-((3-cyano-6-methyl-5-(phenylcarbamoyl)-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl)thio)acetate
Property Insights of methyl 2-((3-cyano-6-methyl-5-(phenylcarbamoyl)-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl)thio)acetate
The XLogP value of 3.98898 indicates that methyl 2-((3-cyano-6-methyl-5-(phenylcarbamoyl)-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl)thio)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.22 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-((3-cyano-6-methyl-5-(phenylcarbamoyl)-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl)thio)acetate. Following Lipinski's Rule of Five, methyl 2-((3-cyano-6-methyl-5-(phenylcarbamoyl)-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl)thio)acetate has 2 hydrogen bond donor(s) and 7 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 methyl 2-((3-cyano-6-methyl-5-(phenylcarbamoyl)-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl)thio)acetate?
The CAS number of methyl 2-((3-cyano-6-methyl-5-(phenylcarbamoyl)-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl)thio)acetate is 201273-80-5.
What is the molecular formula of methyl 2-((3-cyano-6-methyl-5-(phenylcarbamoyl)-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl)thio)acetate?
The molecular formula of methyl 2-((3-cyano-6-methyl-5-(phenylcarbamoyl)-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl)thio)acetate is C21H19N3O3S2.
What is the molecular weight of methyl 2-((3-cyano-6-methyl-5-(phenylcarbamoyl)-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl)thio)acetate?
The molecular weight of methyl 2-((3-cyano-6-methyl-5-(phenylcarbamoyl)-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl)thio)acetate is 425.09 g/mol.
Where can I buy methyl 2-((3-cyano-6-methyl-5-(phenylcarbamoyl)-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl)thio)acetate?
You can request a quote for methyl 2-((3-cyano-6-methyl-5-(phenylcarbamoyl)-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl)thio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-((3-cyano-6-methyl-5-(phenylcarbamoyl)-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-((3-cyano-6-methyl-5-(phenylcarbamoyl)-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.