2-Propenoic acid, 2-cyano-3-(4-cyanophenyl)-
TL;DR: 2-Propenoic acid, 2-cyano-3-(4-cyanophenyl)- (CAS 103417-95-4) is a chemical compound with molecular formula C11H6N2O2 and molecular weight 198.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-3-(4-cyanophenyl)prop-2-enoic acid
Also Known As: 2-cyano-3-(4-cyanophenyl)prop-2-enoic acid, 2-Propenoic acid, 2-cyano-3-(4-cyanophenyl)-, 6-chloro-1-(4-fluorophenyl)-5-methoxy-indazole, (2E)-2-CYANO-3-(4-CYANOPHENYL)ACRYLIC ACID
| Molecular Formula | C11H6N2O2 |
|---|---|
| Molecular Weight | 198.04 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 84.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.04292 |
| Heavy Atoms | 15 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 103417-95-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C=C(C#N)C(=O)O)C#N |
| InChIKey | YYLUJSBONROLKZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propenoic acid, 2-cyano-3-(4-cyanophenyl)- (CAS 103417-95-4), with molecular formula C11H6N2O2 and molecular weight 198.04 g/mol. IUPAC: 2-cyano-3-(4-cyanophenyl)prop-2-enoic acid.
Chemical Property Profile of 2-Propenoic acid, 2-cyano-3-(4-cyanophenyl)-
Property Insights of 2-Propenoic acid, 2-cyano-3-(4-cyanophenyl)-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 2-cyano-3-(4-cyanophenyl)-. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenoic acid, 2-cyano-3-(4-cyanophenyl)-. Following Lipinski's Rule of Five, 2-Propenoic acid, 2-cyano-3-(4-cyanophenyl)- 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-Propenoic acid, 2-cyano-3-(4-cyanophenyl)-?
The CAS number of 2-Propenoic acid, 2-cyano-3-(4-cyanophenyl)- is 103417-95-4.
What is the molecular formula of 2-Propenoic acid, 2-cyano-3-(4-cyanophenyl)-?
The molecular formula of 2-Propenoic acid, 2-cyano-3-(4-cyanophenyl)- is C11H6N2O2.
What is the molecular weight of 2-Propenoic acid, 2-cyano-3-(4-cyanophenyl)-?
The molecular weight of 2-Propenoic acid, 2-cyano-3-(4-cyanophenyl)- is 198.04 g/mol.
Where can I buy 2-Propenoic acid, 2-cyano-3-(4-cyanophenyl)-?
You can request a quote for 2-Propenoic acid, 2-cyano-3-(4-cyanophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 2-cyano-3-(4-cyanophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 2-cyano-3-(4-cyanophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.