4-Tert-butyl-2,6-dimethylbenzoic acid
TL;DR: 4-Tert-butyl-2,6-dimethylbenzoic acid (CAS 58537-98-7) 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.
4-tert-butyl-2,6-dimethylbenzoic acid
Also Known As: 4-tert-butyl-2,6-dimethylbenzoic acid, Maybridge3_006621, 4-(tert-butyl)-2,6-dimethylbenzoic acid, 4-t-butyl-2,6-dimethylbenzoic acid, 2.6-Dimethyl-4-tert.-butylbenzoesaure
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.13 g/mol |
| LogP | 3.29914 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 206.13068 |
| Heavy Atoms | 15 |
| Complexity | 374.48236 |
Chemical Identifiers
| CAS Number | 58537-98-7 |
|---|---|
| SMILES | CC1=CC(=CC(=C1C(=O)O)C)C(C)(C)C |
Product Overview
4-Tert-butyl-2,6-dimethylbenzoic acid (CAS 58537-98-7), with molecular formula C13H18O2 and molecular weight 206.13 g/mol. IUPAC: 4-tert-butyl-2,6-dimethylbenzoic acid.
Chemical Property Profile of 4-Tert-butyl-2,6-dimethylbenzoic acid
Property Insights of 4-Tert-butyl-2,6-dimethylbenzoic acid
The XLogP value of 3.29914 indicates that 4-Tert-butyl-2,6-dimethylbenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Tert-butyl-2,6-dimethylbenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Tert-butyl-2,6-dimethylbenzoic acid has 1 hydrogen bond donor(s) and 1 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 4-Tert-butyl-2,6-dimethylbenzoic acid?
The CAS number of 4-Tert-butyl-2,6-dimethylbenzoic acid is 58537-98-7.
What is the molecular formula of 4-Tert-butyl-2,6-dimethylbenzoic acid?
The molecular formula of 4-Tert-butyl-2,6-dimethylbenzoic acid is C13H18O2.
What is the molecular weight of 4-Tert-butyl-2,6-dimethylbenzoic acid?
The molecular weight of 4-Tert-butyl-2,6-dimethylbenzoic acid is 206.13 g/mol.
Where can I buy 4-Tert-butyl-2,6-dimethylbenzoic acid?
You can request a quote for 4-Tert-butyl-2,6-dimethylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Tert-butyl-2,6-dimethylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Tert-butyl-2,6-dimethylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.