![2-{[2-(4-Tert-butylphenoxy)ethyl]sulfanyl}benzoic acid structure](/static/products/688/688014-01-9.png)
2-{[2-(4-Tert-butylphenoxy)ethyl]sulfanyl}benzoic acid
TL;DR: 2-{[2-(4-Tert-butylphenoxy)ethyl]sulfanyl}benzoic acid (CAS 688014-01-9) is a chemical compound with molecular formula C19H22O3S and molecular weight 330.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-tert-butylphenoxy)ethylsulfanyl]benzoic acid
Also Known As: 2-[2-(4-tert-butylphenoxy)ethylsulfanyl]benzoic Acid, 2-{[2-(4-tert-butylphenoxy)ethyl]sulfanyl}benzoic acid, 2-{2-[4-(tert-butyl)phenoxy]ethylthio}benzoic acid
| Molecular Formula | C19H22O3S |
|---|---|
| Molecular Weight | 330.13 g/mol |
| LogP | 4.8534 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 330.12897 |
| Heavy Atoms | 23 |
| Complexity | 657.0601 |
Chemical Identifiers
| CAS Number | 688014-01-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OCCSC2=CC=CC=C2C(=O)O |
Product Overview
2-{[2-(4-Tert-butylphenoxy)ethyl]sulfanyl}benzoic acid (CAS 688014-01-9), with molecular formula C19H22O3S and molecular weight 330.13 g/mol. IUPAC: 2-[2-(4-tert-butylphenoxy)ethylsulfanyl]benzoic acid.
Chemical Property Profile of 2-{[2-(4-Tert-butylphenoxy)ethyl]sulfanyl}benzoic acid
Property Insights of 2-{[2-(4-Tert-butylphenoxy)ethyl]sulfanyl}benzoic acid
The XLogP value of 4.8534 indicates that 2-{[2-(4-Tert-butylphenoxy)ethyl]sulfanyl}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, 2-{[2-(4-Tert-butylphenoxy)ethyl]sulfanyl}benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[2-(4-Tert-butylphenoxy)ethyl]sulfanyl}benzoic acid has 1 hydrogen bond donor(s) and 3 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-{[2-(4-Tert-butylphenoxy)ethyl]sulfanyl}benzoic acid?
The CAS number of 2-{[2-(4-Tert-butylphenoxy)ethyl]sulfanyl}benzoic acid is 688014-01-9.
What is the molecular formula of 2-{[2-(4-Tert-butylphenoxy)ethyl]sulfanyl}benzoic acid?
The molecular formula of 2-{[2-(4-Tert-butylphenoxy)ethyl]sulfanyl}benzoic acid is C19H22O3S.
What is the molecular weight of 2-{[2-(4-Tert-butylphenoxy)ethyl]sulfanyl}benzoic acid?
The molecular weight of 2-{[2-(4-Tert-butylphenoxy)ethyl]sulfanyl}benzoic acid is 330.13 g/mol.
Where can I buy 2-{[2-(4-Tert-butylphenoxy)ethyl]sulfanyl}benzoic acid?
You can request a quote for 2-{[2-(4-Tert-butylphenoxy)ethyl]sulfanyl}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[2-(4-Tert-butylphenoxy)ethyl]sulfanyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[2-(4-Tert-butylphenoxy)ethyl]sulfanyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.