![methyl 5-({[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanyl}methyl)-2-furoate structure](/static/products/5148/514801-35-5.webp)
methyl 5-({[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanyl}methyl)-2-furoate
TL;DR: methyl 5-({[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanyl}methyl)-2-furoate (CAS 514801-35-5) is a chemical compound with molecular formula C15H12F2N2O3S and molecular weight 338.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanylmethyl]furan-2-carboxylate
Also Known As: methyl 5-({[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanyl}methyl)-2-furoate, methyl 5-[[3-cyano-6-(difluoromethyl)-4-methylpyridin-2-yl]sulfanylmethyl]furan-2-carboxylate, methyl 5-(((3-cyano-6-(difluoromethyl)-4-methylpyridin-2-yl)thio)methyl)furan-2-carboxylate, METHYL 5-({[3-CYANO-6-(DIFLUOROMETHYL)-4-METHYL-2-PYRIDYL]SULFANYL}METHYL)-2-FUROATE, methyl 5-({[3-cyano-6-(difluoromethyl)-4-methylpyridin-2-yl]sulfanyl}methyl)furan-2-carboxylate
| Molecular Formula | C15H12F2N2O3S |
|---|---|
| Molecular Weight | 338.05 g/mol |
| LogP | 3.8712 |
| Topological Polar Surface Area | 76.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 338.05368 |
| Heavy Atoms | 23 |
| Complexity | 768.5679 |
Chemical Identifiers
| CAS Number | 514801-35-5 |
|---|---|
| SMILES | CC1=CC(=NC(=C1C#N)SCC2=CC=C(O2)C(=O)OC)C(F)F |
Product Overview
methyl 5-({[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanyl}methyl)-2-furoate (CAS 514801-35-5), with molecular formula C15H12F2N2O3S and molecular weight 338.05 g/mol. IUPAC: methyl 5-[[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanylmethyl]furan-2-carboxylate.
Chemical Property Profile of methyl 5-({[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanyl}methyl)-2-furoate
Property Insights of methyl 5-({[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanyl}methyl)-2-furoate
The XLogP value of 3.8712 indicates that methyl 5-({[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanyl}methyl)-2-furoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.12 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-({[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanyl}methyl)-2-furoate. Following Lipinski's Rule of Five, methyl 5-({[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanyl}methyl)-2-furoate has 0 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 methyl 5-({[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanyl}methyl)-2-furoate?
The CAS number of methyl 5-({[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanyl}methyl)-2-furoate is 514801-35-5.
What is the molecular formula of methyl 5-({[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanyl}methyl)-2-furoate?
The molecular formula of methyl 5-({[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanyl}methyl)-2-furoate is C15H12F2N2O3S.
What is the molecular weight of methyl 5-({[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanyl}methyl)-2-furoate?
The molecular weight of methyl 5-({[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanyl}methyl)-2-furoate is 338.05 g/mol.
Where can I buy methyl 5-({[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanyl}methyl)-2-furoate?
You can request a quote for methyl 5-({[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanyl}methyl)-2-furoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 5-({[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanyl}methyl)-2-furoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-({[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanyl}methyl)-2-furoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.