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Methyl 2-{[2-(methylsulfanyl)benzyl]sulfanyl}benzenecarboxylate
TL;DR: Methyl 2-{[2-(methylsulfanyl)benzyl]sulfanyl}benzenecarboxylate (CAS 339015-30-4) is a chemical compound with molecular formula C16H16O2S2 and molecular weight 304.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2-methylsulfanylphenyl)methylsulfanyl]benzoate
Also Known As: methyl 2-{[2-(methylsulfanyl)benzyl]sulfanyl}benzenecarboxylate, 7L-515S, methyl 2-({[2-(methylsulfanyl)phenyl]methyl}sulfanyl)benzoate, methyl 2-[(2-methylsulfanylphenyl)methylsulfanyl]benzoate, methyl2-({[2-(methylsulfanyl)phenyl]methyl}sulfanyl)benzoate
| Molecular Formula | C16H16O2S2 |
|---|---|
| Molecular Weight | 304.06 g/mol |
| LogP | 4.4874 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 304.05917 |
| Heavy Atoms | 20 |
| Complexity | 596.53564 |
Chemical Identifiers
| CAS Number | 339015-30-4 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1SCC2=CC=CC=C2SC |
Product Overview
Methyl 2-{[2-(methylsulfanyl)benzyl]sulfanyl}benzenecarboxylate (CAS 339015-30-4), with molecular formula C16H16O2S2 and molecular weight 304.06 g/mol. IUPAC: methyl 2-[(2-methylsulfanylphenyl)methylsulfanyl]benzoate.
Chemical Property Profile of Methyl 2-{[2-(methylsulfanyl)benzyl]sulfanyl}benzenecarboxylate
Property Insights of Methyl 2-{[2-(methylsulfanyl)benzyl]sulfanyl}benzenecarboxylate
The XLogP value of 4.4874 indicates that Methyl 2-{[2-(methylsulfanyl)benzyl]sulfanyl}benzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2-{[2-(methylsulfanyl)benzyl]sulfanyl}benzenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-{[2-(methylsulfanyl)benzyl]sulfanyl}benzenecarboxylate has 0 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 Methyl 2-{[2-(methylsulfanyl)benzyl]sulfanyl}benzenecarboxylate?
The CAS number of Methyl 2-{[2-(methylsulfanyl)benzyl]sulfanyl}benzenecarboxylate is 339015-30-4.
What is the molecular formula of Methyl 2-{[2-(methylsulfanyl)benzyl]sulfanyl}benzenecarboxylate?
The molecular formula of Methyl 2-{[2-(methylsulfanyl)benzyl]sulfanyl}benzenecarboxylate is C16H16O2S2.
What is the molecular weight of Methyl 2-{[2-(methylsulfanyl)benzyl]sulfanyl}benzenecarboxylate?
The molecular weight of Methyl 2-{[2-(methylsulfanyl)benzyl]sulfanyl}benzenecarboxylate is 304.06 g/mol.
Where can I buy Methyl 2-{[2-(methylsulfanyl)benzyl]sulfanyl}benzenecarboxylate?
You can request a quote for Methyl 2-{[2-(methylsulfanyl)benzyl]sulfanyl}benzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-{[2-(methylsulfanyl)benzyl]sulfanyl}benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-{[2-(methylsulfanyl)benzyl]sulfanyl}benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.