(5-Tert-butyl-2-methylphenyl)acetic acid
TL;DR: (5-Tert-butyl-2-methylphenyl)acetic acid (CAS 383133-84-4) 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.
2-(5-tert-butyl-2-methylphenyl)acetic acid
Also Known As: (5-tert-butyl-2-methylphenyl)acetic acid, 2-(5-tert-butyl-2-methylphenyl)acetic acid, 2-(5-(tert-Butyl)-2-methylphenyl)acetic acid, (5-tert-Butyl-2-methyl-phenyl)-acetic acid, BB 0248972
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.13 g/mol |
| LogP | 2.91962 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.13068 |
| Heavy Atoms | 15 |
| Complexity | 372.6126 |
Chemical Identifiers
| CAS Number | 383133-84-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(C)(C)C)CC(=O)O |
Product Overview
(5-Tert-butyl-2-methylphenyl)acetic acid (CAS 383133-84-4), with molecular formula C13H18O2 and molecular weight 206.13 g/mol. IUPAC: 2-(5-tert-butyl-2-methylphenyl)acetic acid.
Chemical Property Profile of (5-Tert-butyl-2-methylphenyl)acetic acid
Property Insights of (5-Tert-butyl-2-methylphenyl)acetic acid
The XLogP value of 2.91962 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-Tert-butyl-2-methylphenyl)acetic acid. With a topological polar surface area (TPSA) of 37.3 Ų, (5-Tert-butyl-2-methylphenyl)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5-Tert-butyl-2-methylphenyl)acetic 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 (5-Tert-butyl-2-methylphenyl)acetic acid?
The CAS number of (5-Tert-butyl-2-methylphenyl)acetic acid is 383133-84-4.
What is the molecular formula of (5-Tert-butyl-2-methylphenyl)acetic acid?
The molecular formula of (5-Tert-butyl-2-methylphenyl)acetic acid is C13H18O2.
What is the molecular weight of (5-Tert-butyl-2-methylphenyl)acetic acid?
The molecular weight of (5-Tert-butyl-2-methylphenyl)acetic acid is 206.13 g/mol.
Where can I buy (5-Tert-butyl-2-methylphenyl)acetic acid?
You can request a quote for (5-Tert-butyl-2-methylphenyl)acetic 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-2-methylphenyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (5-Tert-butyl-2-methylphenyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.