![2-cyano-3-[4-(difluoromethoxy)-3-methoxy-phenyl]prop-2-enoic Acid structure](/static/products/885/885456-85-9.png)
2-cyano-3-[4-(difluoromethoxy)-3-methoxy-phenyl]prop-2-enoic Acid
TL;DR: 2-cyano-3-[4-(difluoromethoxy)-3-methoxy-phenyl]prop-2-enoic Acid (CAS 885456-85-9) is a chemical compound with molecular formula C12H9F2NO4 and molecular weight 269.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoic acid
Also Known As: 2-cyano-3-[4-(difluoromethoxy)-3-methoxy-phenyl]prop-2-enoic Acid, 2-Cyano-3-(4-difluoromethoxy-3-methoxy-phenyl)-acrylic acid, (e)-2-Cyano-3-(4-(difluoromethoxy)-3-methoxyphenyl)acrylic acid, 2-cyano-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoic acid
| Molecular Formula | C12H9F2NO4 |
|---|---|
| Molecular Weight | 269.05 g/mol |
| LogP | 2.28818 |
| Topological Polar Surface Area | 79.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 269.04996 |
| Heavy Atoms | 19 |
| Complexity | 549.15063 |
Chemical Identifiers
| CAS Number | 885456-85-9 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C=C(C#N)C(=O)O)OC(F)F |
Product Overview
2-cyano-3-[4-(difluoromethoxy)-3-methoxy-phenyl]prop-2-enoic Acid (CAS 885456-85-9), with molecular formula C12H9F2NO4 and molecular weight 269.05 g/mol. IUPAC: 2-cyano-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoic acid.
Chemical Property Profile of 2-cyano-3-[4-(difluoromethoxy)-3-methoxy-phenyl]prop-2-enoic Acid
Property Insights of 2-cyano-3-[4-(difluoromethoxy)-3-methoxy-phenyl]prop-2-enoic Acid
The XLogP value of 2.28818 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-cyano-3-[4-(difluoromethoxy)-3-methoxy-phenyl]prop-2-enoic Acid. The TPSA of 79.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-cyano-3-[4-(difluoromethoxy)-3-methoxy-phenyl]prop-2-enoic Acid. Following Lipinski's Rule of Five, 2-cyano-3-[4-(difluoromethoxy)-3-methoxy-phenyl]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 2-cyano-3-[4-(difluoromethoxy)-3-methoxy-phenyl]prop-2-enoic Acid?
The CAS number of 2-cyano-3-[4-(difluoromethoxy)-3-methoxy-phenyl]prop-2-enoic Acid is 885456-85-9.
What is the molecular formula of 2-cyano-3-[4-(difluoromethoxy)-3-methoxy-phenyl]prop-2-enoic Acid?
The molecular formula of 2-cyano-3-[4-(difluoromethoxy)-3-methoxy-phenyl]prop-2-enoic Acid is C12H9F2NO4.
What is the molecular weight of 2-cyano-3-[4-(difluoromethoxy)-3-methoxy-phenyl]prop-2-enoic Acid?
The molecular weight of 2-cyano-3-[4-(difluoromethoxy)-3-methoxy-phenyl]prop-2-enoic Acid is 269.05 g/mol.
Where can I buy 2-cyano-3-[4-(difluoromethoxy)-3-methoxy-phenyl]prop-2-enoic Acid?
You can request a quote for 2-cyano-3-[4-(difluoromethoxy)-3-methoxy-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)-3-methoxy-phenyl]prop-2-enoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2-cyano-3-[4-(difluoromethoxy)-3-methoxy-phenyl]prop-2-enoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.