3-tert-Butyl-5-methylsalicylic acid
TL;DR: 3-tert-Butyl-5-methylsalicylic acid (CAS 23050-96-6) 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-2-hydroxy-5-methylbenzoic acid
Also Known As: 3-tert-butyl-5-methylsalicylic acid, 3-tert-butyl-2-hydroxy-5-methylbenzoic acid, 3-tertiary butyl-5-methylsalicylic acid, 2-hydroxy-5-methyl-3-tert-butyl-benzoic Acid, Benzoic acid, 3-(1,1-dimethylethyl)-2-hydroxy-5-methyl-
| 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 | 23050-96-6 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C(C)(C)C)O)C(=O)O |
Product Overview
3-tert-Butyl-5-methylsalicylic acid (CAS 23050-96-6), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: 3-tert-butyl-2-hydroxy-5-methylbenzoic acid.
Chemical Property Profile of 3-tert-Butyl-5-methylsalicylic acid
Property Insights of 3-tert-Butyl-5-methylsalicylic acid
The XLogP value of 2.69632 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-tert-Butyl-5-methylsalicylic acid. With a topological polar surface area (TPSA) of 57.53 Ų, 3-tert-Butyl-5-methylsalicylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-tert-Butyl-5-methylsalicylic 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 3-tert-Butyl-5-methylsalicylic acid?
The CAS number of 3-tert-Butyl-5-methylsalicylic acid is 23050-96-6.
What is the molecular formula of 3-tert-Butyl-5-methylsalicylic acid?
The molecular formula of 3-tert-Butyl-5-methylsalicylic acid is C12H16O3.
What is the molecular weight of 3-tert-Butyl-5-methylsalicylic acid?
The molecular weight of 3-tert-Butyl-5-methylsalicylic acid is 208.11 g/mol.
Where can I buy 3-tert-Butyl-5-methylsalicylic acid?
You can request a quote for 3-tert-Butyl-5-methylsalicylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-tert-Butyl-5-methylsalicylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-tert-Butyl-5-methylsalicylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.