3,5-Dimethylbenzoate
TL;DR: 3,5-Dimethylbenzoate (CAS 106145-31-7) is a chemical compound with molecular formula C9H9O2- and molecular weight 149.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethylbenzoate
Also Known As: 3,5-dimethylbenzoate, mesitylenate, 3,5-dimethylbenzoate anion, Benzoic acid, 3,5-dimethyl-, ion(1-), RefChem:910717
| Molecular Formula | C9H9O2- |
|---|---|
| Molecular Weight | 149.06 g/mol |
| LogP | 0.66694 |
| Topological Polar Surface Area | 40.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 149.06026 |
| Heavy Atoms | 11 |
| Complexity | 269.36426 |
Chemical Identifiers
| CAS Number | 106145-31-7 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)C(=O)[O-])C |
Product Overview
3,5-Dimethylbenzoate (CAS 106145-31-7), with molecular formula C9H9O2- and molecular weight 149.06 g/mol. IUPAC: 3,5-dimethylbenzoate.
Chemical Property Profile of 3,5-Dimethylbenzoate
Property Insights of 3,5-Dimethylbenzoate
The XLogP value of 0.66694 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dimethylbenzoate. With a topological polar surface area (TPSA) of 40.13 Ų, 3,5-Dimethylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dimethylbenzoate 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
Frequently Asked Questions
What is the CAS number of 3,5-Dimethylbenzoate?
The CAS number of 3,5-Dimethylbenzoate is 106145-31-7.
What is the molecular formula of 3,5-Dimethylbenzoate?
The molecular formula of 3,5-Dimethylbenzoate is C9H9O2-.
What is the molecular weight of 3,5-Dimethylbenzoate?
The molecular weight of 3,5-Dimethylbenzoate is 149.06 g/mol.
Where can I buy 3,5-Dimethylbenzoate?
You can request a quote for 3,5-Dimethylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dimethylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.