2-(3-Methoxybenzylthio)-2-phenylacetic acid
TL;DR: 2-(3-Methoxybenzylthio)-2-phenylacetic acid (CAS 7037-33-4) is a chemical compound with molecular formula C16H16O3S and molecular weight 288.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-methoxyphenyl)methylsulfanyl]-2-phenylacetic acid
Also Known As: 2-(3-methoxybenzylthio)-2-phenylacetic acid, 2-[(3-methoxyphenyl)methylsulfanyl]-2-phenylacetic acid, {[(3-Methoxyphenyl)methyl]sulfanyl}(phenyl)acetic acid
| Molecular Formula | C16H16O3S |
|---|---|
| Molecular Weight | 288.08 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 288.082 |
| Heavy Atoms | 20 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 7037-33-4 |
|---|---|
| SMILES | COC1=CC=CC(=C1)CSC(C2=CC=CC=C2)C(=O)O |
| InChIKey | DCWDBUYRVFMPPL-UHFFFAOYSA-N |
Product Overview
2-(3-Methoxybenzylthio)-2-phenylacetic acid (CAS 7037-33-4), with molecular formula C16H16O3S and molecular weight 288.08 g/mol. IUPAC: 2-[(3-methoxyphenyl)methylsulfanyl]-2-phenylacetic acid.
Chemical Property Profile of 2-(3-Methoxybenzylthio)-2-phenylacetic acid
Property Insights of 2-(3-Methoxybenzylthio)-2-phenylacetic acid
The XLogP value of 3.6 indicates that 2-(3-Methoxybenzylthio)-2-phenylacetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Methoxybenzylthio)-2-phenylacetic acid. Following Lipinski's Rule of Five, 2-(3-Methoxybenzylthio)-2-phenylacetic acid has 1 hydrogen bond donor(s) and 4 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-(3-Methoxybenzylthio)-2-phenylacetic acid?
The CAS number of 2-(3-Methoxybenzylthio)-2-phenylacetic acid is 7037-33-4.
What is the molecular formula of 2-(3-Methoxybenzylthio)-2-phenylacetic acid?
The molecular formula of 2-(3-Methoxybenzylthio)-2-phenylacetic acid is C16H16O3S.
What is the molecular weight of 2-(3-Methoxybenzylthio)-2-phenylacetic acid?
The molecular weight of 2-(3-Methoxybenzylthio)-2-phenylacetic acid is 288.08 g/mol.
Where can I buy 2-(3-Methoxybenzylthio)-2-phenylacetic acid?
You can request a quote for 2-(3-Methoxybenzylthio)-2-phenylacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Methoxybenzylthio)-2-phenylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Methoxybenzylthio)-2-phenylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.