2-Propenoic acid, 2-cyano-3-(2,6-dichlorophenyl)-, (E)-
TL;DR: 2-Propenoic acid, 2-cyano-3-(2,6-dichlorophenyl)-, (E)- (CAS 58177-55-2) is a chemical compound with molecular formula C10H5Cl2NO2 and molecular weight 240.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-(2,6-dichlorophenyl)prop-2-enoic acid
Also Known As: (E)-2-cyano-3-(2,6-dichlorophenyl)prop-2-enoic Acid, 2-Propenoic acid, 2-cyano-3-(2,6-dichlorophenyl)-, (E)-, (2E)-2-CYANO-3-(2,6-DICHLOROPHENYL)PROP-2-ENOIC ACID
| Molecular Formula | C10H5Cl2NO2 |
|---|---|
| Molecular Weight | 240.97 g/mol |
| LogP | 2.98498 |
| Topological Polar Surface Area | 61.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 240.96973 |
| Heavy Atoms | 15 |
| Complexity | 454.551 |
Chemical Identifiers
| CAS Number | 58177-55-2 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)/C=C(\C#N)/C(=O)O)Cl |
Product Overview
2-Propenoic acid, 2-cyano-3-(2,6-dichlorophenyl)-, (E)- (CAS 58177-55-2), with molecular formula C10H5Cl2NO2 and molecular weight 240.97 g/mol. IUPAC: (E)-2-cyano-3-(2,6-dichlorophenyl)prop-2-enoic acid.
Chemical Property Profile of 2-Propenoic acid, 2-cyano-3-(2,6-dichlorophenyl)-, (E)-
Property Insights of 2-Propenoic acid, 2-cyano-3-(2,6-dichlorophenyl)-, (E)-
The XLogP value of 2.98498 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 2-cyano-3-(2,6-dichlorophenyl)-, (E)-. The TPSA of 61.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenoic acid, 2-cyano-3-(2,6-dichlorophenyl)-, (E)-. Following Lipinski's Rule of Five, 2-Propenoic acid, 2-cyano-3-(2,6-dichlorophenyl)-, (E)- has 1 hydrogen bond donor(s) and 2 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-(2,6-dichlorophenyl)-, (E)-?
The CAS number of 2-Propenoic acid, 2-cyano-3-(2,6-dichlorophenyl)-, (E)- is 58177-55-2.
What is the molecular formula of 2-Propenoic acid, 2-cyano-3-(2,6-dichlorophenyl)-, (E)-?
The molecular formula of 2-Propenoic acid, 2-cyano-3-(2,6-dichlorophenyl)-, (E)- is C10H5Cl2NO2.
What is the molecular weight of 2-Propenoic acid, 2-cyano-3-(2,6-dichlorophenyl)-, (E)-?
The molecular weight of 2-Propenoic acid, 2-cyano-3-(2,6-dichlorophenyl)-, (E)- is 240.97 g/mol.
Where can I buy 2-Propenoic acid, 2-cyano-3-(2,6-dichlorophenyl)-, (E)-?
You can request a quote for 2-Propenoic acid, 2-cyano-3-(2,6-dichlorophenyl)-, (E)- 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-(2,6-dichlorophenyl)-, (E)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 2-cyano-3-(2,6-dichlorophenyl)-, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.