Ethyl 3-methoxy-2-(2-propenyl)benzoate
TL;DR: Ethyl 3-methoxy-2-(2-propenyl)benzoate (CAS 444910-75-2) is a chemical compound with molecular formula C13H16O3 and molecular weight 220.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-methoxy-2-prop-2-enylbenzoate
Also Known As: ethyl 3-methoxy-2-(2-propenyl)benzoate, Ethyl 3-methoxy-2-prop-2-enyl-benzoate
| Molecular Formula | C13H16O3 |
|---|---|
| Molecular Weight | 220.11 g/mol |
| LogP | 2.6004 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 220.10994 |
| Heavy Atoms | 16 |
| Complexity | 382.76413 |
Chemical Identifiers
| CAS Number | 444910-75-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=CC=C1)OC)CC=C |
Product Overview
Ethyl 3-methoxy-2-(2-propenyl)benzoate (CAS 444910-75-2), with molecular formula C13H16O3 and molecular weight 220.11 g/mol. IUPAC: ethyl 3-methoxy-2-prop-2-enylbenzoate.
Chemical Property Profile of Ethyl 3-methoxy-2-(2-propenyl)benzoate
Property Insights of Ethyl 3-methoxy-2-(2-propenyl)benzoate
The XLogP value of 2.6004 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-methoxy-2-(2-propenyl)benzoate. With a topological polar surface area (TPSA) of 35.53 Ų, Ethyl 3-methoxy-2-(2-propenyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-methoxy-2-(2-propenyl)benzoate 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 3-methoxy-2-(2-propenyl)benzoate?
The CAS number of Ethyl 3-methoxy-2-(2-propenyl)benzoate is 444910-75-2.
What is the molecular formula of Ethyl 3-methoxy-2-(2-propenyl)benzoate?
The molecular formula of Ethyl 3-methoxy-2-(2-propenyl)benzoate is C13H16O3.
What is the molecular weight of Ethyl 3-methoxy-2-(2-propenyl)benzoate?
The molecular weight of Ethyl 3-methoxy-2-(2-propenyl)benzoate is 220.11 g/mol.
Where can I buy Ethyl 3-methoxy-2-(2-propenyl)benzoate?
You can request a quote for Ethyl 3-methoxy-2-(2-propenyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-methoxy-2-(2-propenyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-methoxy-2-(2-propenyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.