![2-{[5-carbamoyl-3-cyano-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}acetic acid structure](/static/products/851/851175-97-8.png)
2-{[5-carbamoyl-3-cyano-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}acetic acid
TL;DR: 2-{[5-carbamoyl-3-cyano-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}acetic acid (CAS 851175-97-8) is a chemical compound with molecular formula C14H13N3O4S and molecular weight 319.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-carbamoyl-3-cyano-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]acetic acid
Also Known As: 2-{[5-carbamoyl-3-cyano-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}acetic acid, {[5-(aminocarbonyl)-3-cyano-4-(2-furyl)-6-methyl-1,4-dihydropyridin-2-yl]thio}acetic acid, 2-[[5-carbamoyl-3-cyano-4-(2-furyl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]acetic Acid, {[5-Carbamoyl-3-cyano-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}acetic acid, 2-[[5-(Aminocarbonyl)-3-cyano-4-(2-furanyl)-1,4-dihydro-6-methyl-2-pyridinyl]thio]acetic acid
| Molecular Formula | C14H13N3O4S |
|---|---|
| Molecular Weight | 319.06 g/mol |
| LogP | 1.27868 |
| Topological Polar Surface Area | 129.35 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.06268 |
| Heavy Atoms | 22 |
| Complexity | 712.9465 |
Chemical Identifiers
| CAS Number | 851175-97-8 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)O)C#N)C2=CC=CO2)C(=O)N |
Product Overview
2-{[5-carbamoyl-3-cyano-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}acetic acid (CAS 851175-97-8), with molecular formula C14H13N3O4S and molecular weight 319.06 g/mol. IUPAC: 2-[[5-carbamoyl-3-cyano-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]acetic acid.
Chemical Property Profile of 2-{[5-carbamoyl-3-cyano-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}acetic acid
Property Insights of 2-{[5-carbamoyl-3-cyano-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}acetic acid
The XLogP value of 1.27868 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[5-carbamoyl-3-cyano-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}acetic acid. The TPSA of 129.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[5-carbamoyl-3-cyano-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}acetic acid. Following Lipinski's Rule of Five, 2-{[5-carbamoyl-3-cyano-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}acetic acid has 3 hydrogen bond donor(s) and 6 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 2-{[5-carbamoyl-3-cyano-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}acetic acid?
The CAS number of 2-{[5-carbamoyl-3-cyano-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}acetic acid is 851175-97-8.
What is the molecular formula of 2-{[5-carbamoyl-3-cyano-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}acetic acid?
The molecular formula of 2-{[5-carbamoyl-3-cyano-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}acetic acid is C14H13N3O4S.
What is the molecular weight of 2-{[5-carbamoyl-3-cyano-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}acetic acid?
The molecular weight of 2-{[5-carbamoyl-3-cyano-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}acetic acid is 319.06 g/mol.
Where can I buy 2-{[5-carbamoyl-3-cyano-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}acetic acid?
You can request a quote for 2-{[5-carbamoyl-3-cyano-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[5-carbamoyl-3-cyano-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[5-carbamoyl-3-cyano-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.