Ethyl 2-formylcinnamate
TL;DR: Ethyl 2-formylcinnamate (CAS 86867-62-1) is a chemical compound with molecular formula C12H12O3 and molecular weight 204.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-3-(2-formylphenyl)prop-2-enoate
Also Known As: ETHYL 2-FORMYLCINNAMATE, Ethyl 3-(2-formylphenyl)acrylate, ETHYL O-FORMYLCINNAMATE, 4-methyl-1,2,3-thiadiazole, 2-Formylcinnamic acid ethyl ester
| Molecular Formula | C12H12O3 |
|---|---|
| Molecular Weight | 204.08 g/mol |
| LogP | 2.0754 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 204.07864 |
| Heavy Atoms | 15 |
| Complexity | 380.20856 |
Chemical Identifiers
| CAS Number | 86867-62-1 |
|---|---|
| SMILES | CCOC(=O)/C=C/C1=CC=CC=C1C=O |
Product Overview
Ethyl 2-formylcinnamate (CAS 86867-62-1), with molecular formula C12H12O3 and molecular weight 204.08 g/mol. IUPAC: ethyl (E)-3-(2-formylphenyl)prop-2-enoate.
Chemical Property Profile of Ethyl 2-formylcinnamate
Property Insights of Ethyl 2-formylcinnamate
The XLogP value of 2.0754 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-formylcinnamate. With a topological polar surface area (TPSA) of 43.37 Ų, Ethyl 2-formylcinnamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-formylcinnamate 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 Ethyl 2-formylcinnamate?
The CAS number of Ethyl 2-formylcinnamate is 86867-62-1.
What is the molecular formula of Ethyl 2-formylcinnamate?
The molecular formula of Ethyl 2-formylcinnamate is C12H12O3.
What is the molecular weight of Ethyl 2-formylcinnamate?
The molecular weight of Ethyl 2-formylcinnamate is 204.08 g/mol.
Where can I buy Ethyl 2-formylcinnamate?
You can request a quote for Ethyl 2-formylcinnamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-formylcinnamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-formylcinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.