5-(tert-Butyl)-4-hydroxy-m-toluic acid
TL;DR: 5-(tert-Butyl)-4-hydroxy-m-toluic acid (CAS 13423-76-2) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butyl-4-hydroxy-5-methylbenzoic acid
Also Known As: 5-(TERT-BUTYL)-4-HYDROXY-M-TOLUIC ACID, 3-t-Butyl-5-methyl-4-hydroxybenzoic acid, 3-tert-butyl-4-hydroxy-5-methylbenzoic acid, 4-hydroxy-3-methyl-5-tert-butyl-benzoic Acid, 634-382-0
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 2.69632 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 400.06363 |
Chemical Identifiers
| CAS Number | 13423-76-2 |
|---|---|
| SMILES | CC1=CC(=CC(=C1O)C(C)(C)C)C(=O)O |
Product Overview
5-(tert-Butyl)-4-hydroxy-m-toluic acid (CAS 13423-76-2), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: 3-tert-butyl-4-hydroxy-5-methylbenzoic acid.
Chemical Property Profile of 5-(tert-Butyl)-4-hydroxy-m-toluic acid
Property Insights of 5-(tert-Butyl)-4-hydroxy-m-toluic acid
The XLogP value of 2.69632 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(tert-Butyl)-4-hydroxy-m-toluic acid. With a topological polar surface area (TPSA) of 57.53 Ų, 5-(tert-Butyl)-4-hydroxy-m-toluic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(tert-Butyl)-4-hydroxy-m-toluic acid has 2 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 5-(tert-Butyl)-4-hydroxy-m-toluic acid?
The CAS number of 5-(tert-Butyl)-4-hydroxy-m-toluic acid is 13423-76-2.
What is the molecular formula of 5-(tert-Butyl)-4-hydroxy-m-toluic acid?
The molecular formula of 5-(tert-Butyl)-4-hydroxy-m-toluic acid is C12H16O3.
What is the molecular weight of 5-(tert-Butyl)-4-hydroxy-m-toluic acid?
The molecular weight of 5-(tert-Butyl)-4-hydroxy-m-toluic acid is 208.11 g/mol.
Where can I buy 5-(tert-Butyl)-4-hydroxy-m-toluic acid?
You can request a quote for 5-(tert-Butyl)-4-hydroxy-m-toluic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(tert-Butyl)-4-hydroxy-m-toluic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(tert-Butyl)-4-hydroxy-m-toluic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.