2-Tert-butyl-5-methylbenzoic acid
TL;DR: 2-Tert-butyl-5-methylbenzoic acid (CAS 904444-29-7) is a chemical compound with molecular formula C12H16O2 and molecular weight 192.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-5-methylbenzoic acid
Also Known As: 2-tert-butyl-5-methylbenzoic acid, 2-(tert-butyl)-5-methylbenzoic acid, AE-562/43287021
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 2.99072 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 192.11504 |
| Heavy Atoms | 14 |
| Complexity | 359.07474 |
Chemical Identifiers
| CAS Number | 904444-29-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(C)(C)C)C(=O)O |
Product Overview
2-Tert-butyl-5-methylbenzoic acid (CAS 904444-29-7), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: 2-tert-butyl-5-methylbenzoic acid.
Chemical Property Profile of 2-Tert-butyl-5-methylbenzoic acid
Property Insights of 2-Tert-butyl-5-methylbenzoic acid
The XLogP value of 2.99072 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Tert-butyl-5-methylbenzoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Tert-butyl-5-methylbenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Tert-butyl-5-methylbenzoic 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 2-Tert-butyl-5-methylbenzoic acid?
The CAS number of 2-Tert-butyl-5-methylbenzoic acid is 904444-29-7.
What is the molecular formula of 2-Tert-butyl-5-methylbenzoic acid?
The molecular formula of 2-Tert-butyl-5-methylbenzoic acid is C12H16O2.
What is the molecular weight of 2-Tert-butyl-5-methylbenzoic acid?
The molecular weight of 2-Tert-butyl-5-methylbenzoic acid is 192.12 g/mol.
Where can I buy 2-Tert-butyl-5-methylbenzoic acid?
You can request a quote for 2-Tert-butyl-5-methylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Tert-butyl-5-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Tert-butyl-5-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.