![3-[5-[2-Nitro-4-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoic acid structure](/static/products/6464/646497-91-8.webp)
3-[5-[2-Nitro-4-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoic acid
TL;DR: 3-[5-[2-Nitro-4-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoic acid (CAS 646497-91-8) is a chemical compound with molecular formula C14H8F3NO5 and molecular weight 327.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-[2-nitro-4-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoic acid
Also Known As: 3-{5-[2-nitro-4-(trifluoromethyl)phenyl]-2-furyl}acrylic acid, 3-[5-[2-nitro-4-(trifluoromethyl)phenyl]-2-furyl]prop-2-enoic Acid, 3-[5-[2-nitro-4-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoic acid
| Molecular Formula | C14H8F3NO5 |
|---|---|
| Molecular Weight | 327.04 g/mol |
| LogP | 3.9714 |
| Topological Polar Surface Area | 93.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.03546 |
| Heavy Atoms | 23 |
| Complexity | 791.9507 |
Chemical Identifiers
| CAS Number | 646497-91-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])C2=CC=C(O2)C=CC(=O)O |
Product Overview
3-[5-[2-Nitro-4-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoic acid (CAS 646497-91-8), with molecular formula C14H8F3NO5 and molecular weight 327.04 g/mol. IUPAC: 3-[5-[2-nitro-4-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoic acid.
Chemical Property Profile of 3-[5-[2-Nitro-4-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoic acid
Property Insights of 3-[5-[2-Nitro-4-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoic acid
The XLogP value of 3.9714 indicates that 3-[5-[2-Nitro-4-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[5-[2-Nitro-4-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoic acid. Following Lipinski's Rule of Five, 3-[5-[2-Nitro-4-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoic acid has 1 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 3-[5-[2-Nitro-4-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoic acid?
The CAS number of 3-[5-[2-Nitro-4-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoic acid is 646497-91-8.
What is the molecular formula of 3-[5-[2-Nitro-4-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoic acid?
The molecular formula of 3-[5-[2-Nitro-4-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoic acid is C14H8F3NO5.
What is the molecular weight of 3-[5-[2-Nitro-4-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoic acid?
The molecular weight of 3-[5-[2-Nitro-4-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoic acid is 327.04 g/mol.
Where can I buy 3-[5-[2-Nitro-4-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoic acid?
You can request a quote for 3-[5-[2-Nitro-4-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[5-[2-Nitro-4-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[5-[2-Nitro-4-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.