![2-cyano-3-[1-(2-cyanoethyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-4-yl]prop-2-enoic acid structure](/static/products/956/956374-01-9.png)
2-cyano-3-[1-(2-cyanoethyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-4-yl]prop-2-enoic acid
TL;DR: 2-cyano-3-[1-(2-cyanoethyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-4-yl]prop-2-enoic acid (CAS 956374-01-9) is a chemical compound with molecular formula C18H14F2N4O4 and molecular weight 388.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-[1-(2-cyanoethyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]pyrazol-4-yl]prop-2-enoic acid
Also Known As: 2-cyano-3-[1-(2-cyanoethyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-4-yl]prop-2-enoic acid, (E)-2-cyano-3-[1-(2-cyanoethyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]pyrazol-4-yl]prop-2-enoic acid, 2-Cyano-3-(1-(2-cyanoethyl)-3-(4-(difluoromethoxy)-3-methoxyphenyl)-1H-pyrazol-4-yl)acrylic acid, 2-cyano-3-[1-(2-cyanoethyl)-3-[4-(difluoromethoxy)-3-methoxy-phenyl]pyrazol-4-yl]prop-2-enoic Acid, 2-cyano-3-[1-(2-cyanoethyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-4-yl]prop-2-enoicacid
| Molecular Formula | C18H14F2N4O4 |
|---|---|
| Molecular Weight | 388.10 g/mol |
| LogP | 3.06536 |
| Topological Polar Surface Area | 121.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 388.0983 |
| Heavy Atoms | 28 |
| Complexity | 986.44745 |
Chemical Identifiers
| CAS Number | 956374-01-9 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)O)CCC#N)OC(F)F |
Product Overview
2-cyano-3-[1-(2-cyanoethyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-4-yl]prop-2-enoic acid (CAS 956374-01-9), with molecular formula C18H14F2N4O4 and molecular weight 388.10 g/mol. IUPAC: (E)-2-cyano-3-[1-(2-cyanoethyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]pyrazol-4-yl]prop-2-enoic acid.
Chemical Property Profile of 2-cyano-3-[1-(2-cyanoethyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-4-yl]prop-2-enoic acid
Property Insights of 2-cyano-3-[1-(2-cyanoethyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-4-yl]prop-2-enoic acid
The XLogP value of 3.06536 indicates that 2-cyano-3-[1-(2-cyanoethyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-4-yl]prop-2-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-cyano-3-[1-(2-cyanoethyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-4-yl]prop-2-enoic acid. Following Lipinski's Rule of Five, 2-cyano-3-[1-(2-cyanoethyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-4-yl]prop-2-enoic acid has 1 hydrogen bond donor(s) and 6 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-[1-(2-cyanoethyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-4-yl]prop-2-enoic acid?
The CAS number of 2-cyano-3-[1-(2-cyanoethyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-4-yl]prop-2-enoic acid is 956374-01-9.
What is the molecular formula of 2-cyano-3-[1-(2-cyanoethyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-4-yl]prop-2-enoic acid?
The molecular formula of 2-cyano-3-[1-(2-cyanoethyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-4-yl]prop-2-enoic acid is C18H14F2N4O4.
What is the molecular weight of 2-cyano-3-[1-(2-cyanoethyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-4-yl]prop-2-enoic acid?
The molecular weight of 2-cyano-3-[1-(2-cyanoethyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-4-yl]prop-2-enoic acid is 388.10 g/mol.
Where can I buy 2-cyano-3-[1-(2-cyanoethyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-4-yl]prop-2-enoic acid?
You can request a quote for 2-cyano-3-[1-(2-cyanoethyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-4-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 2-cyano-3-[1-(2-cyanoethyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-4-yl]prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-cyano-3-[1-(2-cyanoethyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-4-yl]prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.