Benzoic acid, 3,5-dimethyl-, methyl ester
TL;DR: Benzoic acid, 3,5-dimethyl-, methyl ester (CAS 25081-39-4) is a chemical compound with molecular formula C10H12O2 and molecular weight 164.08372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3,5-dimethylbenzoate
Also Known As: METHYL 3,5-DIMETHYLBENZOATE, Ethylicin, Benzoic acid, 3,5-dimethyl-, methyl ester, Methyl-3,5-dimethylbenzoate, 3,5-dimethylbenzoic acid methyl ester
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H12O2 |
| Molecular Weight | 164.08372 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 164.08372 Da |
| Heavy Atoms | 12 |
| Complexity | 155.0 |
| SMILES | CC1=CC(=CC(=C1)C(=O)OC)C |
| InChIKey | PEVXENGLERTHJE-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 3,5-dimethyl-, methyl ester
Property Insights of Benzoic acid, 3,5-dimethyl-, methyl ester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3,5-dimethyl-, methyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Benzoic acid, 3,5-dimethyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 3,5-dimethyl-, methyl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzoic acid, 3,5-dimethyl-, methyl ester?
The CAS number of Benzoic acid, 3,5-dimethyl-, methyl ester is 25081-39-4.
What is the molecular formula of Benzoic acid, 3,5-dimethyl-, methyl ester?
The molecular formula of Benzoic acid, 3,5-dimethyl-, methyl ester is C10H12O2.
What is the molecular weight of Benzoic acid, 3,5-dimethyl-, methyl ester?
The molecular weight of Benzoic acid, 3,5-dimethyl-, methyl ester is 164.08372 g/mol.
Where can I buy Benzoic acid, 3,5-dimethyl-, methyl ester?
You can request a quote for Benzoic acid, 3,5-dimethyl-, methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 3,5-dimethyl-, methyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 3,5-dimethyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.