o-Toluic acid, 4-allyloxy-3-ethyl-5-propyl-, methyl ester
TL;DR: o-Toluic acid, 4-allyloxy-3-ethyl-5-propyl-, methyl ester (CAS 93809-94-0) is a chemical compound with molecular formula C17H24O3 and molecular weight 276.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-ethyl-2-methyl-4-prop-2-enoxy-5-propylbenzoate
Also Known As: o-Toluic acid, 4-allyloxy-3-ethyl-5-propyl-, methyl ester, Methyl 4-allyloxy-3-ethyl-2-methyl-5-propylbenzoate, 4-Allyloxy-3-ethyl-5-propyl-o-toluic acid methyl ester, methyl 3-ethyl-2-methyl-4-prop-2-enoxy-5-propylbenzoate, methyl 3-ethyl-2-methyl-4-(prop-2-en-1-yloxy)-5-propylbenzoate
| Molecular Formula | C17H24O3 |
|---|---|
| Molecular Weight | 276.17 g/mol |
| LogP | 3.86132 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 276.17255 |
| Heavy Atoms | 20 |
| Complexity | 489.49875 |
Chemical Identifiers
| CAS Number | 93809-94-0 |
|---|---|
| SMILES | CCCC1=CC(=C(C(=C1OCC=C)CC)C)C(=O)OC |
Product Overview
o-Toluic acid, 4-allyloxy-3-ethyl-5-propyl-, methyl ester (CAS 93809-94-0), with molecular formula C17H24O3 and molecular weight 276.17 g/mol. IUPAC: methyl 3-ethyl-2-methyl-4-prop-2-enoxy-5-propylbenzoate.
Chemical Property Profile of o-Toluic acid, 4-allyloxy-3-ethyl-5-propyl-, methyl ester
Property Insights of o-Toluic acid, 4-allyloxy-3-ethyl-5-propyl-, methyl ester
The XLogP value of 3.86132 indicates that o-Toluic acid, 4-allyloxy-3-ethyl-5-propyl-, methyl 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-5-propyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Toluic acid, 4-allyloxy-3-ethyl-5-propyl-, 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 o-Toluic acid, 4-allyloxy-3-ethyl-5-propyl-, methyl ester?
The CAS number of o-Toluic acid, 4-allyloxy-3-ethyl-5-propyl-, methyl ester is 93809-94-0.
What is the molecular formula of o-Toluic acid, 4-allyloxy-3-ethyl-5-propyl-, methyl ester?
The molecular formula of o-Toluic acid, 4-allyloxy-3-ethyl-5-propyl-, methyl ester is C17H24O3.
What is the molecular weight of o-Toluic acid, 4-allyloxy-3-ethyl-5-propyl-, methyl ester?
The molecular weight of o-Toluic acid, 4-allyloxy-3-ethyl-5-propyl-, methyl ester is 276.17 g/mol.
Where can I buy o-Toluic acid, 4-allyloxy-3-ethyl-5-propyl-, methyl ester?
You can request a quote for o-Toluic acid, 4-allyloxy-3-ethyl-5-propyl-, methyl 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-5-propyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for o-Toluic acid, 4-allyloxy-3-ethyl-5-propyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.