o-Toluic acid, 4-allyloxy-3-ethyl-, ethyl ester
TL;DR: o-Toluic acid, 4-allyloxy-3-ethyl-, ethyl ester (CAS 94204-19-0) is a chemical compound with molecular formula C15H20O3 and molecular weight 248.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-ethyl-2-methyl-4-prop-2-enoxybenzoate
Also Known As: Ethyl 4-allyloxy-3-ethyl-2-methylbenzoate, 4-Allyloxy-3-ethyl-o-toluic acid ethyl ester, o-Toluic acid, 4-allyloxy-3-ethyl-, ethyl ester, Ethyl 4-(allyloxy)-3-ethyl-2-methylbenzoate, ethyl 3-ethyl-2-methyl-4-prop-2-enoxybenzoate
| Molecular Formula | C15H20O3 |
|---|---|
| Molecular Weight | 248.14 g/mol |
| LogP | 3.29892 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 248.14125 |
| Heavy Atoms | 18 |
| Complexity | 435.61002 |
Chemical Identifiers
| CAS Number | 94204-19-0 |
|---|---|
| SMILES | CCC1=C(C=CC(=C1C)C(=O)OCC)OCC=C |
Product Overview
o-Toluic acid, 4-allyloxy-3-ethyl-, ethyl ester (CAS 94204-19-0), with molecular formula C15H20O3 and molecular weight 248.14 g/mol. IUPAC: ethyl 3-ethyl-2-methyl-4-prop-2-enoxybenzoate.
Chemical Property Profile of o-Toluic acid, 4-allyloxy-3-ethyl-, ethyl ester
Property Insights of o-Toluic acid, 4-allyloxy-3-ethyl-, ethyl ester
The XLogP value of 3.29892 indicates that o-Toluic acid, 4-allyloxy-3-ethyl-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, o-Toluic acid, 4-allyloxy-3-ethyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Toluic acid, 4-allyloxy-3-ethyl-, ethyl 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 o-Toluic acid, 4-allyloxy-3-ethyl-, ethyl ester?
The CAS number of o-Toluic acid, 4-allyloxy-3-ethyl-, ethyl ester is 94204-19-0.
What is the molecular formula of o-Toluic acid, 4-allyloxy-3-ethyl-, ethyl ester?
The molecular formula of o-Toluic acid, 4-allyloxy-3-ethyl-, ethyl ester is C15H20O3.
What is the molecular weight of o-Toluic acid, 4-allyloxy-3-ethyl-, ethyl ester?
The molecular weight of o-Toluic acid, 4-allyloxy-3-ethyl-, ethyl ester is 248.14 g/mol.
Where can I buy o-Toluic acid, 4-allyloxy-3-ethyl-, ethyl ester?
You can request a quote for o-Toluic acid, 4-allyloxy-3-ethyl-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Toluic acid, 4-allyloxy-3-ethyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for o-Toluic acid, 4-allyloxy-3-ethyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.