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 208.10994 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
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
Technical Specifications
| Molecular Formula | C12H16O3 |
| Molecular Weight | 208.10994 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.10994 Da |
| Heavy Atoms | 15 |
| Complexity | 215.0 |
| SMILES | CCC1=C(C=CC(=C1C)C(=O)OCC)O |
| InChIKey | VRFGYUJCWQTRBE-UHFFFAOYSA-N |
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 2.9 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 46.5 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
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 208.10994 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 CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for o-Toluic acid, 3-ethyl-4-hydroxy-, ethyl ester?
Yes, CoreyChem 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.