2-Propenoic acid, 3-phenyl-, 4-chloro-3,5-dimethylphenyl ester
TL;DR: 2-Propenoic acid, 3-phenyl-, 4-chloro-3,5-dimethylphenyl ester (CAS 89329-16-8) is a chemical compound with molecular formula C17H15ClO2 and molecular weight 286.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chloro-3,5-dimethylphenyl) 3-phenylprop-2-enoate
Also Known As: 2-Propenoic acid, 3-phenyl-, 4-chloro-3,5-dimethylphenyl ester, (4-chloro-3,5-dimethylphenyl) 3-phenylprop-2-enoate, (4-chloro-3,5-dimethyl-phenyl) 3-phenylprop-2-enoate, 4-CHLORO-3,5-DIMETHYLPHENYL 3-PHENYLPROP-2-ENOATE, 2-Propenoic acid,3-phenyl-,4-chloro-3,5-dimethylphenyl ester
| Molecular Formula | C17H15ClO2 |
|---|---|
| Molecular Weight | 286.08 g/mol |
| LogP | 4.57564 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.07605 |
| Heavy Atoms | 20 |
| Complexity | 622.2896 |
Chemical Identifiers
| CAS Number | 89329-16-8 |
|---|---|
| SMILES | CC1=CC(=CC(=C1Cl)C)OC(=O)C=CC2=CC=CC=C2 |
Product Overview
2-Propenoic acid, 3-phenyl-, 4-chloro-3,5-dimethylphenyl ester (CAS 89329-16-8), with molecular formula C17H15ClO2 and molecular weight 286.08 g/mol. IUPAC: (4-chloro-3,5-dimethylphenyl) 3-phenylprop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 3-phenyl-, 4-chloro-3,5-dimethylphenyl ester
Property Insights of 2-Propenoic acid, 3-phenyl-, 4-chloro-3,5-dimethylphenyl ester
The XLogP value of 4.57564 indicates that 2-Propenoic acid, 3-phenyl-, 4-chloro-3,5-dimethylphenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Propenoic acid, 3-phenyl-, 4-chloro-3,5-dimethylphenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoic acid, 3-phenyl-, 4-chloro-3,5-dimethylphenyl ester has 0 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, 3-phenyl-, 4-chloro-3,5-dimethylphenyl ester?
The CAS number of 2-Propenoic acid, 3-phenyl-, 4-chloro-3,5-dimethylphenyl ester is 89329-16-8.
What is the molecular formula of 2-Propenoic acid, 3-phenyl-, 4-chloro-3,5-dimethylphenyl ester?
The molecular formula of 2-Propenoic acid, 3-phenyl-, 4-chloro-3,5-dimethylphenyl ester is C17H15ClO2.
What is the molecular weight of 2-Propenoic acid, 3-phenyl-, 4-chloro-3,5-dimethylphenyl ester?
The molecular weight of 2-Propenoic acid, 3-phenyl-, 4-chloro-3,5-dimethylphenyl ester is 286.08 g/mol.
Where can I buy 2-Propenoic acid, 3-phenyl-, 4-chloro-3,5-dimethylphenyl ester?
You can request a quote for 2-Propenoic acid, 3-phenyl-, 4-chloro-3,5-dimethylphenyl 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, 3-phenyl-, 4-chloro-3,5-dimethylphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 3-phenyl-, 4-chloro-3,5-dimethylphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.