(E)-methyl 2-cyano-3-(5-(4-((difluoromethyl)thio)phenyl)furan-2-yl)acrylate
TL;DR: (E)-methyl 2-cyano-3-(5-(4-((difluoromethyl)thio)phenyl)furan-2-yl)acrylate (CAS 326022-55-3) is a chemical compound with molecular formula C16H11F2NO3S and molecular weight 335.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-2-cyano-3-[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]prop-2-enoate
Also Known As: (E)-methyl 2-cyano-3-(5-(4-((difluoromethyl)thio)phenyl)furan-2-yl)acrylate, F1589-0228, methyl (2E)-2-cyano-3-(5-{4-[(difluoromethyl)sulfanyl]phenyl}furan-2-yl)prop-2-enoate, methyl (E)-2-cyano-3-[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]prop-2-enoate, methyl (2E)-3-{5-[4-(difluoromethylthio)phenyl](2-furyl)}-2-cyanoprop-2-enoate
| Molecular Formula | C16H11F2NO3S |
|---|---|
| Molecular Weight | 335.04 g/mol |
| LogP | 4.34128 |
| Topological Polar Surface Area | 63.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.0428 |
| Heavy Atoms | 23 |
| Complexity | 760.3777 |
Chemical Identifiers
| CAS Number | 326022-55-3 |
|---|---|
| SMILES | COC(=O)/C(=C/C1=CC=C(O1)C2=CC=C(C=C2)SC(F)F)/C#N |
Product Overview
(E)-methyl 2-cyano-3-(5-(4-((difluoromethyl)thio)phenyl)furan-2-yl)acrylate (CAS 326022-55-3), with molecular formula C16H11F2NO3S and molecular weight 335.04 g/mol. IUPAC: methyl (E)-2-cyano-3-[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]prop-2-enoate.
Chemical Property Profile of (E)-methyl 2-cyano-3-(5-(4-((difluoromethyl)thio)phenyl)furan-2-yl)acrylate
Property Insights of (E)-methyl 2-cyano-3-(5-(4-((difluoromethyl)thio)phenyl)furan-2-yl)acrylate
The XLogP value of 4.34128 indicates that (E)-methyl 2-cyano-3-(5-(4-((difluoromethyl)thio)phenyl)furan-2-yl)acrylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.23 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 2-cyano-3-(5-(4-((difluoromethyl)thio)phenyl)furan-2-yl)acrylate. Following Lipinski's Rule of Five, (E)-methyl 2-cyano-3-(5-(4-((difluoromethyl)thio)phenyl)furan-2-yl)acrylate has 0 hydrogen bond donor(s) and 5 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 (E)-methyl 2-cyano-3-(5-(4-((difluoromethyl)thio)phenyl)furan-2-yl)acrylate?
The CAS number of (E)-methyl 2-cyano-3-(5-(4-((difluoromethyl)thio)phenyl)furan-2-yl)acrylate is 326022-55-3.
What is the molecular formula of (E)-methyl 2-cyano-3-(5-(4-((difluoromethyl)thio)phenyl)furan-2-yl)acrylate?
The molecular formula of (E)-methyl 2-cyano-3-(5-(4-((difluoromethyl)thio)phenyl)furan-2-yl)acrylate is C16H11F2NO3S.
What is the molecular weight of (E)-methyl 2-cyano-3-(5-(4-((difluoromethyl)thio)phenyl)furan-2-yl)acrylate?
The molecular weight of (E)-methyl 2-cyano-3-(5-(4-((difluoromethyl)thio)phenyl)furan-2-yl)acrylate is 335.04 g/mol.
Where can I buy (E)-methyl 2-cyano-3-(5-(4-((difluoromethyl)thio)phenyl)furan-2-yl)acrylate?
You can request a quote for (E)-methyl 2-cyano-3-(5-(4-((difluoromethyl)thio)phenyl)furan-2-yl)acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-methyl 2-cyano-3-(5-(4-((difluoromethyl)thio)phenyl)furan-2-yl)acrylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 2-cyano-3-(5-(4-((difluoromethyl)thio)phenyl)furan-2-yl)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.