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Methyl 2-[4-(methylsulfanyl)phenyl]benzoate
TL;DR: Methyl 2-[4-(methylsulfanyl)phenyl]benzoate (CAS 1820703-66-9) is a chemical compound with molecular formula C15H14O2S and molecular weight 258.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(4-methylsulfanylphenyl)benzoate
Also Known As: methyl 2-[4-(methylsulfanyl)phenyl]benzoate, methyl 2-(4-methylsulfanylphenyl)benzoate, methyl2-[4-(methylsulfanyl)phenyl]benzoate
| Molecular Formula | C15H14O2S |
|---|---|
| Molecular Weight | 258.07 g/mol |
| LogP | 3.8621 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.07144 |
| Heavy Atoms | 18 |
| Complexity | 546.675 |
Chemical Identifiers
| CAS Number | 1820703-66-9 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1C2=CC=C(C=C2)SC |
Product Overview
Methyl 2-[4-(methylsulfanyl)phenyl]benzoate (CAS 1820703-66-9), with molecular formula C15H14O2S and molecular weight 258.07 g/mol. IUPAC: methyl 2-(4-methylsulfanylphenyl)benzoate.
Chemical Property Profile of Methyl 2-[4-(methylsulfanyl)phenyl]benzoate
Property Insights of Methyl 2-[4-(methylsulfanyl)phenyl]benzoate
The XLogP value of 3.8621 indicates that Methyl 2-[4-(methylsulfanyl)phenyl]benzoate 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-[4-(methylsulfanyl)phenyl]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-[4-(methylsulfanyl)phenyl]benzoate has 0 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 Methyl 2-[4-(methylsulfanyl)phenyl]benzoate?
The CAS number of Methyl 2-[4-(methylsulfanyl)phenyl]benzoate is 1820703-66-9.
What is the molecular formula of Methyl 2-[4-(methylsulfanyl)phenyl]benzoate?
The molecular formula of Methyl 2-[4-(methylsulfanyl)phenyl]benzoate is C15H14O2S.
What is the molecular weight of Methyl 2-[4-(methylsulfanyl)phenyl]benzoate?
The molecular weight of Methyl 2-[4-(methylsulfanyl)phenyl]benzoate is 258.07 g/mol.
Where can I buy Methyl 2-[4-(methylsulfanyl)phenyl]benzoate?
You can request a quote for Methyl 2-[4-(methylsulfanyl)phenyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[4-(methylsulfanyl)phenyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[4-(methylsulfanyl)phenyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.