(E)-2-Cyano-3-(4-isopropylphenyl)propenoic acid methyl ester
TL;DR: (E)-2-Cyano-3-(4-isopropylphenyl)propenoic acid methyl ester (CAS 485358-34-7) is a chemical compound with molecular formula C14H15NO2 and molecular weight 229.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoate
Also Known As: J2.334.782B, methyl (E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoate, (E)-2-Cyano-3-(4-isopropylphenyl)propenoic acid methyl ester, methyl (2E)-2-cyano-3-[4-(propan-2-yl)phenyl]prop-2-enoate, methyl (E)-2-cyano-3-(4-isopropylphenyl)prop-2-enoate
| Molecular Formula | C14H15NO2 |
|---|---|
| Molecular Weight | 229.11 g/mol |
| LogP | 2.88998 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.11028 |
| Heavy Atoms | 17 |
| Complexity | 463.99072 |
Chemical Identifiers
| CAS Number | 485358-34-7 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)OC |
Product Overview
(E)-2-Cyano-3-(4-isopropylphenyl)propenoic acid methyl ester (CAS 485358-34-7), with molecular formula C14H15NO2 and molecular weight 229.11 g/mol. IUPAC: methyl (E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoate.
Chemical Property Profile of (E)-2-Cyano-3-(4-isopropylphenyl)propenoic acid methyl ester
Property Insights of (E)-2-Cyano-3-(4-isopropylphenyl)propenoic acid methyl ester
The XLogP value of 2.88998 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-Cyano-3-(4-isopropylphenyl)propenoic acid methyl ester. With a topological polar surface area (TPSA) of 50.09 Ų, (E)-2-Cyano-3-(4-isopropylphenyl)propenoic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-2-Cyano-3-(4-isopropylphenyl)propenoic acid methyl ester has 0 hydrogen bond donor(s) and 3 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 (E)-2-Cyano-3-(4-isopropylphenyl)propenoic acid methyl ester?
The CAS number of (E)-2-Cyano-3-(4-isopropylphenyl)propenoic acid methyl ester is 485358-34-7.
What is the molecular formula of (E)-2-Cyano-3-(4-isopropylphenyl)propenoic acid methyl ester?
The molecular formula of (E)-2-Cyano-3-(4-isopropylphenyl)propenoic acid methyl ester is C14H15NO2.
What is the molecular weight of (E)-2-Cyano-3-(4-isopropylphenyl)propenoic acid methyl ester?
The molecular weight of (E)-2-Cyano-3-(4-isopropylphenyl)propenoic acid methyl ester is 229.11 g/mol.
Where can I buy (E)-2-Cyano-3-(4-isopropylphenyl)propenoic acid methyl ester?
You can request a quote for (E)-2-Cyano-3-(4-isopropylphenyl)propenoic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-Cyano-3-(4-isopropylphenyl)propenoic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-Cyano-3-(4-isopropylphenyl)propenoic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.