![2-Cyano-3-[4-(diethylamino)phenyl]prop-2-enoic acid structure](/static/products/3960/396087-05-1.webp)
2-Cyano-3-[4-(diethylamino)phenyl]prop-2-enoic acid
TL;DR: 2-Cyano-3-[4-(diethylamino)phenyl]prop-2-enoic acid (CAS 396087-05-1) is a chemical compound with molecular formula C14H16N2O2 and molecular weight 244.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoic acid
Also Known As: 2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoic acid, 2-Propenoic acid, 2-cyano-3-[4-(diethylamino)phenyl]-, 2-Propenoic acid,2-cyano-3-[4-(diethylamino)phenyl]
| Molecular Formula | C14H16N2O2 |
|---|---|
| Molecular Weight | 244.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 244.12119 |
| Heavy Atoms | 18 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 396087-05-1 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C=C(C#N)C(=O)O |
| InChIKey | YPUZCMVSMPWSKU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Cyano-3-[4-(diethylamino)phenyl]prop-2-enoic acid (CAS 396087-05-1), with molecular formula C14H16N2O2 and molecular weight 244.12 g/mol. IUPAC: 2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoic acid.
Chemical Property Profile of 2-Cyano-3-[4-(diethylamino)phenyl]prop-2-enoic acid
Property Insights of 2-Cyano-3-[4-(diethylamino)phenyl]prop-2-enoic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyano-3-[4-(diethylamino)phenyl]prop-2-enoic acid. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyano-3-[4-(diethylamino)phenyl]prop-2-enoic acid. Following Lipinski's Rule of Five, 2-Cyano-3-[4-(diethylamino)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-(diethylamino)phenyl]prop-2-enoic acid?
The CAS number of 2-Cyano-3-[4-(diethylamino)phenyl]prop-2-enoic acid is 396087-05-1.
What is the molecular formula of 2-Cyano-3-[4-(diethylamino)phenyl]prop-2-enoic acid?
The molecular formula of 2-Cyano-3-[4-(diethylamino)phenyl]prop-2-enoic acid is C14H16N2O2.
What is the molecular weight of 2-Cyano-3-[4-(diethylamino)phenyl]prop-2-enoic acid?
The molecular weight of 2-Cyano-3-[4-(diethylamino)phenyl]prop-2-enoic acid is 244.12 g/mol.
Where can I buy 2-Cyano-3-[4-(diethylamino)phenyl]prop-2-enoic acid?
You can request a quote for 2-Cyano-3-[4-(diethylamino)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-(diethylamino)phenyl]prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyano-3-[4-(diethylamino)phenyl]prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.