![2-{[2-(4-Methoxyphenyl)-2-oxoethyl]sulfanyl}benzoic acid structure](/static/products/1588/15884-39-6.webp)
2-{[2-(4-Methoxyphenyl)-2-oxoethyl]sulfanyl}benzoic acid
TL;DR: 2-{[2-(4-Methoxyphenyl)-2-oxoethyl]sulfanyl}benzoic acid (CAS 15884-39-6) is a chemical compound with molecular formula C16H14O4S and molecular weight 302.06128 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylbenzoic acid
Also Known As: o-[(p-anisoyl)methylthio]benzoic acid, 2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)benzoic acid, 2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylbenzoic acid, BIM-0049054.P001, 2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}benzoic acid
Technical Specifications
| Molecular Formula | C16H14O4S |
| Molecular Weight | 302.06128 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 88.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 302.06128 Da |
| Heavy Atoms | 21 |
| Complexity | 363.0 |
| SMILES | COC1=CC=C(C=C1)C(=O)CSC2=CC=CC=C2C(=O)O |
| InChIKey | WXYGNQDOXSRZGA-UHFFFAOYSA-N |
Chemical Property Profile of 2-{[2-(4-Methoxyphenyl)-2-oxoethyl]sulfanyl}benzoic acid
Property Insights of 2-{[2-(4-Methoxyphenyl)-2-oxoethyl]sulfanyl}benzoic acid
The XLogP value of 3.3 indicates that 2-{[2-(4-Methoxyphenyl)-2-oxoethyl]sulfanyl}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[2-(4-Methoxyphenyl)-2-oxoethyl]sulfanyl}benzoic acid. Following Lipinski's Rule of Five, 2-{[2-(4-Methoxyphenyl)-2-oxoethyl]sulfanyl}benzoic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-{[2-(4-Methoxyphenyl)-2-oxoethyl]sulfanyl}benzoic acid?
The CAS number of 2-{[2-(4-Methoxyphenyl)-2-oxoethyl]sulfanyl}benzoic acid is 15884-39-6.
What is the molecular formula of 2-{[2-(4-Methoxyphenyl)-2-oxoethyl]sulfanyl}benzoic acid?
The molecular formula of 2-{[2-(4-Methoxyphenyl)-2-oxoethyl]sulfanyl}benzoic acid is C16H14O4S.
What is the molecular weight of 2-{[2-(4-Methoxyphenyl)-2-oxoethyl]sulfanyl}benzoic acid?
The molecular weight of 2-{[2-(4-Methoxyphenyl)-2-oxoethyl]sulfanyl}benzoic acid is 302.06128 g/mol.
Where can I buy 2-{[2-(4-Methoxyphenyl)-2-oxoethyl]sulfanyl}benzoic acid?
You can request a quote for 2-{[2-(4-Methoxyphenyl)-2-oxoethyl]sulfanyl}benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-{[2-(4-Methoxyphenyl)-2-oxoethyl]sulfanyl}benzoic acid?
Yes, CoreyChem provides custom synthesis services for 2-{[2-(4-Methoxyphenyl)-2-oxoethyl]sulfanyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.