o-Toluic acid, 3-ethyl-4-hydroxy-, ethyl ester
TL;DR: o-Toluic acid, 3-ethyl-4-hydroxy-, ethyl ester (CAS 102395-98-2) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-ethyl-4-hydroxy-2-methylbenzoate
Also Known As: ethyl 3-ethyl-4-hydroxy-2-methylbenzoate, Ethyl 4-hydroxy-3-ethyl-2-methylbenzoate, o-Toluic acid, 3-ethyl-4-hydroxy-, ethyl ester, 3-Ethyl-4-hydroxy-o-toluic acid ethyl ester, 2-Amino-pyrimidine-4-carboxylic acid
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 2.43972 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 369.37512 |
Chemical Identifiers
| CAS Number | 102395-98-2 |
|---|---|
| SMILES | CCC1=C(C=CC(=C1C)C(=O)OCC)O |
Product Overview
o-Toluic acid, 3-ethyl-4-hydroxy-, ethyl ester (CAS 102395-98-2), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: ethyl 3-ethyl-4-hydroxy-2-methylbenzoate.
Chemical Property Profile of o-Toluic acid, 3-ethyl-4-hydroxy-, ethyl ester
Property Insights of o-Toluic acid, 3-ethyl-4-hydroxy-, ethyl ester
The XLogP value of 2.43972 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-Toluic acid, 3-ethyl-4-hydroxy-, ethyl ester. With a topological polar surface area (TPSA) of 46.53 Ų, o-Toluic acid, 3-ethyl-4-hydroxy-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Toluic acid, 3-ethyl-4-hydroxy-, ethyl ester has 1 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, 3-ethyl-4-hydroxy-, ethyl ester?
The CAS number of o-Toluic acid, 3-ethyl-4-hydroxy-, ethyl ester is 102395-98-2.
What is the molecular formula of o-Toluic acid, 3-ethyl-4-hydroxy-, ethyl ester?
The molecular formula of o-Toluic acid, 3-ethyl-4-hydroxy-, ethyl ester is C12H16O3.
What is the molecular weight of o-Toluic acid, 3-ethyl-4-hydroxy-, ethyl ester?
The molecular weight of o-Toluic acid, 3-ethyl-4-hydroxy-, ethyl ester is 208.11 g/mol.
Where can I buy o-Toluic acid, 3-ethyl-4-hydroxy-, ethyl ester?
You can request a quote for o-Toluic acid, 3-ethyl-4-hydroxy-, 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, 3-ethyl-4-hydroxy-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for o-Toluic acid, 3-ethyl-4-hydroxy-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.