![Methyl 2-[[3-cyano-1,4-dihydro-6-methyl-4-(5-methyl-2-furanyl)-5-[(phenylamino)carbonyl]-2-pyridinyl]thio]acetate structure](/static/products/4156/415688-15-2.webp)
Methyl 2-[[3-cyano-1,4-dihydro-6-methyl-4-(5-methyl-2-furanyl)-5-[(phenylamino)carbonyl]-2-pyridinyl]thio]acetate
TL;DR: Methyl 2-[[3-cyano-1,4-dihydro-6-methyl-4-(5-methyl-2-furanyl)-5-[(phenylamino)carbonyl]-2-pyridinyl]thio]acetate (CAS 415688-15-2) is a chemical compound with molecular formula C22H21N3O4S and molecular weight 423.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[3-cyano-6-methyl-4-(5-methylfuran-2-yl)-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl]acetate
Also Known As: Methyl 2-[[3-cyano-1,4-dihydro-6-methyl-4-(5-methyl-2-furanyl)-5-[(phenylamino)carbonyl]-2-pyridinyl]thio]acetate, methyl 2-[[3-cyano-6-methyl-4-(5-methylfuran-2-yl)-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl]acetate, methyl {[5-(anilinocarbonyl)-3-cyano-6-methyl-4-(5-methyl-2-furyl)-1,4-dihydro-2-pyridinyl]thio}acetate
| Molecular Formula | C22H21N3O4S |
|---|---|
| Molecular Weight | 423.13 g/mol |
| LogP | 3.8289 |
| Topological Polar Surface Area | 104.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.12527 |
| Heavy Atoms | 30 |
| Complexity | 1063.5519 |
Chemical Identifiers
| CAS Number | 415688-15-2 |
|---|---|
| SMILES | CC1=CC=C(O1)C2C(=C(NC(=C2C(=O)NC3=CC=CC=C3)C)SCC(=O)OC)C#N |
Product Overview
Methyl 2-[[3-cyano-1,4-dihydro-6-methyl-4-(5-methyl-2-furanyl)-5-[(phenylamino)carbonyl]-2-pyridinyl]thio]acetate (CAS 415688-15-2), with molecular formula C22H21N3O4S and molecular weight 423.13 g/mol. IUPAC: methyl 2-[[3-cyano-6-methyl-4-(5-methylfuran-2-yl)-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl]acetate.
Chemical Property Profile of Methyl 2-[[3-cyano-1,4-dihydro-6-methyl-4-(5-methyl-2-furanyl)-5-[(phenylamino)carbonyl]-2-pyridinyl]thio]acetate
Property Insights of Methyl 2-[[3-cyano-1,4-dihydro-6-methyl-4-(5-methyl-2-furanyl)-5-[(phenylamino)carbonyl]-2-pyridinyl]thio]acetate
The XLogP value of 3.8289 indicates that Methyl 2-[[3-cyano-1,4-dihydro-6-methyl-4-(5-methyl-2-furanyl)-5-[(phenylamino)carbonyl]-2-pyridinyl]thio]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[[3-cyano-1,4-dihydro-6-methyl-4-(5-methyl-2-furanyl)-5-[(phenylamino)carbonyl]-2-pyridinyl]thio]acetate. Following Lipinski's Rule of Five, Methyl 2-[[3-cyano-1,4-dihydro-6-methyl-4-(5-methyl-2-furanyl)-5-[(phenylamino)carbonyl]-2-pyridinyl]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-1,4-dihydro-6-methyl-4-(5-methyl-2-furanyl)-5-[(phenylamino)carbonyl]-2-pyridinyl]thio]acetate?
The CAS number of Methyl 2-[[3-cyano-1,4-dihydro-6-methyl-4-(5-methyl-2-furanyl)-5-[(phenylamino)carbonyl]-2-pyridinyl]thio]acetate is 415688-15-2.
What is the molecular formula of Methyl 2-[[3-cyano-1,4-dihydro-6-methyl-4-(5-methyl-2-furanyl)-5-[(phenylamino)carbonyl]-2-pyridinyl]thio]acetate?
The molecular formula of Methyl 2-[[3-cyano-1,4-dihydro-6-methyl-4-(5-methyl-2-furanyl)-5-[(phenylamino)carbonyl]-2-pyridinyl]thio]acetate is C22H21N3O4S.
What is the molecular weight of Methyl 2-[[3-cyano-1,4-dihydro-6-methyl-4-(5-methyl-2-furanyl)-5-[(phenylamino)carbonyl]-2-pyridinyl]thio]acetate?
The molecular weight of Methyl 2-[[3-cyano-1,4-dihydro-6-methyl-4-(5-methyl-2-furanyl)-5-[(phenylamino)carbonyl]-2-pyridinyl]thio]acetate is 423.13 g/mol.
Where can I buy Methyl 2-[[3-cyano-1,4-dihydro-6-methyl-4-(5-methyl-2-furanyl)-5-[(phenylamino)carbonyl]-2-pyridinyl]thio]acetate?
You can request a quote for Methyl 2-[[3-cyano-1,4-dihydro-6-methyl-4-(5-methyl-2-furanyl)-5-[(phenylamino)carbonyl]-2-pyridinyl]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-1,4-dihydro-6-methyl-4-(5-methyl-2-furanyl)-5-[(phenylamino)carbonyl]-2-pyridinyl]thio]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[[3-cyano-1,4-dihydro-6-methyl-4-(5-methyl-2-furanyl)-5-[(phenylamino)carbonyl]-2-pyridinyl]thio]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.