![2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enoic Acid structure](/static/products/885/885456-98-4.png)
2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enoic Acid
TL;DR: 2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enoic Acid (CAS 885456-98-4) is a chemical compound with molecular formula C11H7F2NO3 and molecular weight 239.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enoic acid
Also Known As: UPCMLD0ENAT5808012:001, 2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enoic Acid, 2-Cyano-3-(4-difluoromethoxy-phenyl)-acrylic acid
| Molecular Formula | C11H7F2NO3 |
|---|---|
| Molecular Weight | 239.04 g/mol |
| LogP | 2.27958 |
| Topological Polar Surface Area | 70.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 239.0394 |
| Heavy Atoms | 17 |
| Complexity | 474.48508 |
Chemical Identifiers
| CAS Number | 885456-98-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C=C(C#N)C(=O)O)OC(F)F |
Product Overview
2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enoic Acid (CAS 885456-98-4), with molecular formula C11H7F2NO3 and molecular weight 239.04 g/mol. IUPAC: 2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enoic acid.
Chemical Property Profile of 2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enoic Acid
Property Insights of 2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enoic Acid
The XLogP value of 2.27958 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enoic Acid. The TPSA of 70.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enoic Acid. Following Lipinski's Rule of Five, 2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enoic Acid has 1 hydrogen bond donor(s) and 3 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-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enoic Acid?
The CAS number of 2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enoic Acid is 885456-98-4.
What is the molecular formula of 2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enoic Acid?
The molecular formula of 2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enoic Acid is C11H7F2NO3.
What is the molecular weight of 2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enoic Acid?
The molecular weight of 2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enoic Acid is 239.04 g/mol.
Where can I buy 2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enoic Acid?
You can request a quote for 2-cyano-3-[4-(difluoromethoxy)phenyl]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 2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.