2-Cyano-3-(3,4-dihydroxyphenyl)-2-propenoic acid 3-phenylprop-2-enyl ester
TL;DR: 2-Cyano-3-(3,4-dihydroxyphenyl)-2-propenoic acid 3-phenylprop-2-enyl ester (CAS 132465-11-3) is a chemical compound with molecular formula C19H15NO4 and molecular weight 321.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenylprop-2-enyl 2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoate
Also Known As: KBio2_000614, KBio2_003182, KBio2_005750, KBio3_001087, KBio3_001088
| Molecular Formula | C19H15NO4 |
|---|---|
| Molecular Weight | 321.10 g/mol |
| LogP | 3.26138 |
| Topological Polar Surface Area | 90.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.1001 |
| Heavy Atoms | 24 |
| Complexity | 817.0056 |
Chemical Identifiers
| CAS Number | 132465-11-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=CCOC(=O)C(=CC2=CC(=C(C=C2)O)O)C#N |
Product Overview
2-Cyano-3-(3,4-dihydroxyphenyl)-2-propenoic acid 3-phenylprop-2-enyl ester (CAS 132465-11-3), with molecular formula C19H15NO4 and molecular weight 321.10 g/mol. IUPAC: 3-phenylprop-2-enyl 2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoate.
Chemical Property Profile of 2-Cyano-3-(3,4-dihydroxyphenyl)-2-propenoic acid 3-phenylprop-2-enyl ester
Property Insights of 2-Cyano-3-(3,4-dihydroxyphenyl)-2-propenoic acid 3-phenylprop-2-enyl ester
The XLogP value of 3.26138 indicates that 2-Cyano-3-(3,4-dihydroxyphenyl)-2-propenoic acid 3-phenylprop-2-enyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyano-3-(3,4-dihydroxyphenyl)-2-propenoic acid 3-phenylprop-2-enyl ester. Following Lipinski's Rule of Five, 2-Cyano-3-(3,4-dihydroxyphenyl)-2-propenoic acid 3-phenylprop-2-enyl ester has 2 hydrogen bond donor(s) and 5 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-(3,4-dihydroxyphenyl)-2-propenoic acid 3-phenylprop-2-enyl ester?
The CAS number of 2-Cyano-3-(3,4-dihydroxyphenyl)-2-propenoic acid 3-phenylprop-2-enyl ester is 132465-11-3.
What is the molecular formula of 2-Cyano-3-(3,4-dihydroxyphenyl)-2-propenoic acid 3-phenylprop-2-enyl ester?
The molecular formula of 2-Cyano-3-(3,4-dihydroxyphenyl)-2-propenoic acid 3-phenylprop-2-enyl ester is C19H15NO4.
What is the molecular weight of 2-Cyano-3-(3,4-dihydroxyphenyl)-2-propenoic acid 3-phenylprop-2-enyl ester?
The molecular weight of 2-Cyano-3-(3,4-dihydroxyphenyl)-2-propenoic acid 3-phenylprop-2-enyl ester is 321.10 g/mol.
Where can I buy 2-Cyano-3-(3,4-dihydroxyphenyl)-2-propenoic acid 3-phenylprop-2-enyl ester?
You can request a quote for 2-Cyano-3-(3,4-dihydroxyphenyl)-2-propenoic acid 3-phenylprop-2-enyl ester 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-(3,4-dihydroxyphenyl)-2-propenoic acid 3-phenylprop-2-enyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyano-3-(3,4-dihydroxyphenyl)-2-propenoic acid 3-phenylprop-2-enyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.