Butyl 2,6-dimethylbenzoate
TL;DR: Butyl 2,6-dimethylbenzoate (CAS 52392-56-0) is a chemical compound with molecular formula C13H18O2 and molecular weight 206.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2,6-dimethylbenzoate
Also Known As: butyl 2,6-dimethylbenzoate, 2,6-dimethyl-benzoic acid butyl ester, Benzoic acid, 2,6-dimethyl-, butyl ester
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.13 g/mol |
| LogP | 3.26034 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 206.13068 |
| Heavy Atoms | 15 |
| Complexity | 322.13922 |
Chemical Identifiers
| CAS Number | 52392-56-0 |
|---|---|
| SMILES | CCCCOC(=O)C1=C(C=CC=C1C)C |
Product Overview
Butyl 2,6-dimethylbenzoate (CAS 52392-56-0), with molecular formula C13H18O2 and molecular weight 206.13 g/mol. IUPAC: butyl 2,6-dimethylbenzoate.
Chemical Property Profile of Butyl 2,6-dimethylbenzoate
Property Insights of Butyl 2,6-dimethylbenzoate
The XLogP value of 3.26034 indicates that Butyl 2,6-dimethylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Butyl 2,6-dimethylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 2,6-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 Butyl 2,6-dimethylbenzoate?
The CAS number of Butyl 2,6-dimethylbenzoate is 52392-56-0.
What is the molecular formula of Butyl 2,6-dimethylbenzoate?
The molecular formula of Butyl 2,6-dimethylbenzoate is C13H18O2.
What is the molecular weight of Butyl 2,6-dimethylbenzoate?
The molecular weight of Butyl 2,6-dimethylbenzoate is 206.13 g/mol.
Where can I buy Butyl 2,6-dimethylbenzoate?
You can request a quote for Butyl 2,6-dimethylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 2,6-dimethylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 2,6-dimethylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.