Tert-butyl 2,3,5,6-tetramethylbenzoate
TL;DR: Tert-butyl 2,3,5,6-tetramethylbenzoate (CAS 55352-37-9) is a chemical compound with molecular formula C15H22O2 and molecular weight 234.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2,3,5,6-tetramethylbenzoate
Also Known As: tert-butyl 2,3,5,6-tetramethylbenzoate
| Molecular Formula | C15H22O2 |
|---|---|
| Molecular Weight | 234.16 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.16199 |
| Heavy Atoms | 17 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 55352-37-9 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1C)C(=O)OC(C)(C)C)C)C |
| InChIKey | YGWMVXQYLNKGDE-UHFFFAOYSA-N |
Product Overview
Tert-butyl 2,3,5,6-tetramethylbenzoate (CAS 55352-37-9), with molecular formula C15H22O2 and molecular weight 234.16 g/mol. IUPAC: tert-butyl 2,3,5,6-tetramethylbenzoate.
Chemical Property Profile of Tert-butyl 2,3,5,6-tetramethylbenzoate
Property Insights of Tert-butyl 2,3,5,6-tetramethylbenzoate
The XLogP value of 4.2 indicates that Tert-butyl 2,3,5,6-tetramethylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Tert-butyl 2,3,5,6-tetramethylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 2,3,5,6-tetramethylbenzoate 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 Tert-butyl 2,3,5,6-tetramethylbenzoate?
The CAS number of Tert-butyl 2,3,5,6-tetramethylbenzoate is 55352-37-9.
What is the molecular formula of Tert-butyl 2,3,5,6-tetramethylbenzoate?
The molecular formula of Tert-butyl 2,3,5,6-tetramethylbenzoate is C15H22O2.
What is the molecular weight of Tert-butyl 2,3,5,6-tetramethylbenzoate?
The molecular weight of Tert-butyl 2,3,5,6-tetramethylbenzoate is 234.16 g/mol.
Where can I buy Tert-butyl 2,3,5,6-tetramethylbenzoate?
You can request a quote for Tert-butyl 2,3,5,6-tetramethylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 2,3,5,6-tetramethylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 2,3,5,6-tetramethylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.