![2-{[3-cyano-4-(furan-2-yl)-6-methyl-5-(methylcarbamoyl)pyridin-2-yl]sulfanyl}acetic acid structure](/static/products/851/851208-06-5.png)
2-{[3-cyano-4-(furan-2-yl)-6-methyl-5-(methylcarbamoyl)pyridin-2-yl]sulfanyl}acetic acid
TL;DR: 2-{[3-cyano-4-(furan-2-yl)-6-methyl-5-(methylcarbamoyl)pyridin-2-yl]sulfanyl}acetic acid (CAS 851208-06-5) is a chemical compound with molecular formula C15H13N3O4S and molecular weight 331.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-cyano-4-(furan-2-yl)-6-methyl-5-(methylcarbamoyl)-2-pyridinyl]sulfanyl]acetic acid
Also Known As: 2-{[3-cyano-4-(furan-2-yl)-6-methyl-5-(methylcarbamoyl)pyridin-2-yl]sulfanyl}acetic acid, ({3-cyano-4-(2-furyl)-6-methyl-5-[(methylamino)carbonyl]pyridin-2-yl}thio)acetic acid, 2-[3-cyano-4-(furan-2-yl)-6-methyl-5-(methylcarbamoyl)pyridin-2-yl]sulfanylacetic acid, 2-[3-cyano-4-(2-furyl)-6-methyl-5-(methylcarbamoyl)pyridin-2-yl]sulfanylacetic Acid, 2-{[3-cyano-4-(furan-2-yl)-6-methyl-5-(methylcarbamoyl)pyridin-2-yl]sulfanyl}aceticacid
| Molecular Formula | C15H13N3O4S |
|---|---|
| Molecular Weight | 331.06 g/mol |
| LogP | 2.058 |
| Topological Polar Surface Area | 116.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.06268 |
| Heavy Atoms | 23 |
| Complexity | 794.0387 |
Chemical Identifiers
| CAS Number | 851208-06-5 |
|---|---|
| SMILES | CC1=C(C(=C(C(=N1)SCC(=O)O)C#N)C2=CC=CO2)C(=O)NC |
Product Overview
2-{[3-cyano-4-(furan-2-yl)-6-methyl-5-(methylcarbamoyl)pyridin-2-yl]sulfanyl}acetic acid (CAS 851208-06-5), with molecular formula C15H13N3O4S and molecular weight 331.06 g/mol. IUPAC: 2-[[3-cyano-4-(furan-2-yl)-6-methyl-5-(methylcarbamoyl)-2-pyridinyl]sulfanyl]acetic acid.
Chemical Property Profile of 2-{[3-cyano-4-(furan-2-yl)-6-methyl-5-(methylcarbamoyl)pyridin-2-yl]sulfanyl}acetic acid
Property Insights of 2-{[3-cyano-4-(furan-2-yl)-6-methyl-5-(methylcarbamoyl)pyridin-2-yl]sulfanyl}acetic acid
The XLogP value of 2.058 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[3-cyano-4-(furan-2-yl)-6-methyl-5-(methylcarbamoyl)pyridin-2-yl]sulfanyl}acetic acid. The TPSA of 116.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[3-cyano-4-(furan-2-yl)-6-methyl-5-(methylcarbamoyl)pyridin-2-yl]sulfanyl}acetic acid. Following Lipinski's Rule of Five, 2-{[3-cyano-4-(furan-2-yl)-6-methyl-5-(methylcarbamoyl)pyridin-2-yl]sulfanyl}acetic acid has 2 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-{[3-cyano-4-(furan-2-yl)-6-methyl-5-(methylcarbamoyl)pyridin-2-yl]sulfanyl}acetic acid?
The CAS number of 2-{[3-cyano-4-(furan-2-yl)-6-methyl-5-(methylcarbamoyl)pyridin-2-yl]sulfanyl}acetic acid is 851208-06-5.
What is the molecular formula of 2-{[3-cyano-4-(furan-2-yl)-6-methyl-5-(methylcarbamoyl)pyridin-2-yl]sulfanyl}acetic acid?
The molecular formula of 2-{[3-cyano-4-(furan-2-yl)-6-methyl-5-(methylcarbamoyl)pyridin-2-yl]sulfanyl}acetic acid is C15H13N3O4S.
What is the molecular weight of 2-{[3-cyano-4-(furan-2-yl)-6-methyl-5-(methylcarbamoyl)pyridin-2-yl]sulfanyl}acetic acid?
The molecular weight of 2-{[3-cyano-4-(furan-2-yl)-6-methyl-5-(methylcarbamoyl)pyridin-2-yl]sulfanyl}acetic acid is 331.06 g/mol.
Where can I buy 2-{[3-cyano-4-(furan-2-yl)-6-methyl-5-(methylcarbamoyl)pyridin-2-yl]sulfanyl}acetic acid?
You can request a quote for 2-{[3-cyano-4-(furan-2-yl)-6-methyl-5-(methylcarbamoyl)pyridin-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-{[3-cyano-4-(furan-2-yl)-6-methyl-5-(methylcarbamoyl)pyridin-2-yl]sulfanyl}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[3-cyano-4-(furan-2-yl)-6-methyl-5-(methylcarbamoyl)pyridin-2-yl]sulfanyl}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.