(E)-methyl 3-(5-(2-chloro-5-(trifluoromethyl)phenyl)furan-2-yl)-2-cyanoacrylate
TL;DR: (E)-methyl 3-(5-(2-chloro-5-(trifluoromethyl)phenyl)furan-2-yl)-2-cyanoacrylate (CAS 469876-99-1) is a chemical compound with molecular formula C16H9ClF3NO3 and molecular weight 355.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-2-cyanoprop-2-enoate
Also Known As: (E)-methyl 3-(5-(2-chloro-5-(trifluoromethyl)phenyl)furan-2-yl)-2-cyanoacrylate, F1305-0045, methyl (2E)-3-{5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl}-2-cyanoprop-2-enoate, methyl (2E)-3-{5-[2-chloro-5-(trifluoromethyl)phenyl](2-furyl)}-2-cyanoprop-2- enoate, methyl (E)-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-2-cyanoprop-2-enoate
| Molecular Formula | C16H9ClF3NO3 |
|---|---|
| Molecular Weight | 355.02 g/mol |
| LogP | 4.69878 |
| Topological Polar Surface Area | 63.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.0223 |
| Heavy Atoms | 24 |
| Complexity | 846.98303 |
Chemical Identifiers
| CAS Number | 469876-99-1 |
|---|---|
| SMILES | COC(=O)/C(=C/C1=CC=C(O1)C2=C(C=CC(=C2)C(F)(F)F)Cl)/C#N |
Product Overview
(E)-methyl 3-(5-(2-chloro-5-(trifluoromethyl)phenyl)furan-2-yl)-2-cyanoacrylate (CAS 469876-99-1), with molecular formula C16H9ClF3NO3 and molecular weight 355.02 g/mol. IUPAC: methyl (E)-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-2-cyanoprop-2-enoate.
Chemical Property Profile of (E)-methyl 3-(5-(2-chloro-5-(trifluoromethyl)phenyl)furan-2-yl)-2-cyanoacrylate
Property Insights of (E)-methyl 3-(5-(2-chloro-5-(trifluoromethyl)phenyl)furan-2-yl)-2-cyanoacrylate
The XLogP value of 4.69878 indicates that (E)-methyl 3-(5-(2-chloro-5-(trifluoromethyl)phenyl)furan-2-yl)-2-cyanoacrylate 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 3-(5-(2-chloro-5-(trifluoromethyl)phenyl)furan-2-yl)-2-cyanoacrylate. Following Lipinski's Rule of Five, (E)-methyl 3-(5-(2-chloro-5-(trifluoromethyl)phenyl)furan-2-yl)-2-cyanoacrylate has 0 hydrogen bond donor(s) and 4 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 3-(5-(2-chloro-5-(trifluoromethyl)phenyl)furan-2-yl)-2-cyanoacrylate?
The CAS number of (E)-methyl 3-(5-(2-chloro-5-(trifluoromethyl)phenyl)furan-2-yl)-2-cyanoacrylate is 469876-99-1.
What is the molecular formula of (E)-methyl 3-(5-(2-chloro-5-(trifluoromethyl)phenyl)furan-2-yl)-2-cyanoacrylate?
The molecular formula of (E)-methyl 3-(5-(2-chloro-5-(trifluoromethyl)phenyl)furan-2-yl)-2-cyanoacrylate is C16H9ClF3NO3.
What is the molecular weight of (E)-methyl 3-(5-(2-chloro-5-(trifluoromethyl)phenyl)furan-2-yl)-2-cyanoacrylate?
The molecular weight of (E)-methyl 3-(5-(2-chloro-5-(trifluoromethyl)phenyl)furan-2-yl)-2-cyanoacrylate is 355.02 g/mol.
Where can I buy (E)-methyl 3-(5-(2-chloro-5-(trifluoromethyl)phenyl)furan-2-yl)-2-cyanoacrylate?
You can request a quote for (E)-methyl 3-(5-(2-chloro-5-(trifluoromethyl)phenyl)furan-2-yl)-2-cyanoacrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-methyl 3-(5-(2-chloro-5-(trifluoromethyl)phenyl)furan-2-yl)-2-cyanoacrylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 3-(5-(2-chloro-5-(trifluoromethyl)phenyl)furan-2-yl)-2-cyanoacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.