3-Cyclopentyl-5-tert-butyl-4-hydroxybenzoic acid
TL;DR: 3-Cyclopentyl-5-tert-butyl-4-hydroxybenzoic acid (CAS 93777-77-6) is a chemical compound with molecular formula C16H22O3 and molecular weight 262.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butyl-5-cyclopentyl-4-hydroxybenzoic acid
Also Known As: 3-Cyclopentyl-5-tert-butyl-4-hydroxybenzoic acid, EINECS 298-111-4, 3-tert-butyl-5-cyclopentyl-4-hydroxybenzoic acid, 3-Cyclopentyl-5-(1,1-dimethylethyl)-4-hydroxybenzoic acid
| Molecular Formula | C16H22O3 |
|---|---|
| Molecular Weight | 262.16 g/mol |
| LogP | 4.0455 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.1569 |
| Heavy Atoms | 19 |
| Complexity | 491.4509 |
Chemical Identifiers
| CAS Number | 93777-77-6 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C2CCCC2)C(=O)O |
Product Overview
3-Cyclopentyl-5-tert-butyl-4-hydroxybenzoic acid (CAS 93777-77-6), with molecular formula C16H22O3 and molecular weight 262.16 g/mol. IUPAC: 3-tert-butyl-5-cyclopentyl-4-hydroxybenzoic acid.
Chemical Property Profile of 3-Cyclopentyl-5-tert-butyl-4-hydroxybenzoic acid
Property Insights of 3-Cyclopentyl-5-tert-butyl-4-hydroxybenzoic acid
The XLogP value of 4.0455 indicates that 3-Cyclopentyl-5-tert-butyl-4-hydroxybenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.53 Ų, 3-Cyclopentyl-5-tert-butyl-4-hydroxybenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Cyclopentyl-5-tert-butyl-4-hydroxybenzoic 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-Cyclopentyl-5-tert-butyl-4-hydroxybenzoic acid?
The CAS number of 3-Cyclopentyl-5-tert-butyl-4-hydroxybenzoic acid is 93777-77-6.
What is the molecular formula of 3-Cyclopentyl-5-tert-butyl-4-hydroxybenzoic acid?
The molecular formula of 3-Cyclopentyl-5-tert-butyl-4-hydroxybenzoic acid is C16H22O3.
What is the molecular weight of 3-Cyclopentyl-5-tert-butyl-4-hydroxybenzoic acid?
The molecular weight of 3-Cyclopentyl-5-tert-butyl-4-hydroxybenzoic acid is 262.16 g/mol.
Where can I buy 3-Cyclopentyl-5-tert-butyl-4-hydroxybenzoic acid?
You can request a quote for 3-Cyclopentyl-5-tert-butyl-4-hydroxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Cyclopentyl-5-tert-butyl-4-hydroxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyclopentyl-5-tert-butyl-4-hydroxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.