2-Propenoic acid, 2-cyano-3-(3,4,5-trimethoxyphenyl)-, ethyl ester
TL;DR: 2-Propenoic acid, 2-cyano-3-(3,4,5-trimethoxyphenyl)-, ethyl ester (CAS 2601-03-8) is a chemical compound with molecular formula C15H17NO5 and molecular weight 291.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
Also Known As: 2-Propenoic acid, 2-cyano-3-(3,4,5-trimethoxyphenyl)-, ethyl ester, ethyl 2-cyano-3-(3,4,5-trimethoxyphenyl)prop-2-enoate, RefChem:266287
| Molecular Formula | C15H17NO5 |
|---|---|
| Molecular Weight | 291.11 g/mol |
| LogP | 2.18248 |
| Topological Polar Surface Area | 77.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 291.1107 |
| Heavy Atoms | 21 |
| Complexity | 561.21216 |
Chemical Identifiers
| CAS Number | 2601-03-8 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC(=C(C(=C1)OC)OC)OC)C#N |
Product Overview
2-Propenoic acid, 2-cyano-3-(3,4,5-trimethoxyphenyl)-, ethyl ester (CAS 2601-03-8), with molecular formula C15H17NO5 and molecular weight 291.11 g/mol. IUPAC: ethyl 2-cyano-3-(3,4,5-trimethoxyphenyl)prop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 2-cyano-3-(3,4,5-trimethoxyphenyl)-, ethyl ester
Property Insights of 2-Propenoic acid, 2-cyano-3-(3,4,5-trimethoxyphenyl)-, ethyl ester
The XLogP value of 2.18248 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 2-cyano-3-(3,4,5-trimethoxyphenyl)-, ethyl ester. The TPSA of 77.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenoic acid, 2-cyano-3-(3,4,5-trimethoxyphenyl)-, ethyl ester. Following Lipinski's Rule of Five, 2-Propenoic acid, 2-cyano-3-(3,4,5-trimethoxyphenyl)-, ethyl ester has 0 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-Propenoic acid, 2-cyano-3-(3,4,5-trimethoxyphenyl)-, ethyl ester?
The CAS number of 2-Propenoic acid, 2-cyano-3-(3,4,5-trimethoxyphenyl)-, ethyl ester is 2601-03-8.
What is the molecular formula of 2-Propenoic acid, 2-cyano-3-(3,4,5-trimethoxyphenyl)-, ethyl ester?
The molecular formula of 2-Propenoic acid, 2-cyano-3-(3,4,5-trimethoxyphenyl)-, ethyl ester is C15H17NO5.
What is the molecular weight of 2-Propenoic acid, 2-cyano-3-(3,4,5-trimethoxyphenyl)-, ethyl ester?
The molecular weight of 2-Propenoic acid, 2-cyano-3-(3,4,5-trimethoxyphenyl)-, ethyl ester is 291.11 g/mol.
Where can I buy 2-Propenoic acid, 2-cyano-3-(3,4,5-trimethoxyphenyl)-, ethyl ester?
You can request a quote for 2-Propenoic acid, 2-cyano-3-(3,4,5-trimethoxyphenyl)-, ethyl ester 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-(3,4,5-trimethoxyphenyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 2-cyano-3-(3,4,5-trimethoxyphenyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.