Methyl 4-((pyridin-2-ylthio)methyl)benzoate
TL;DR: Methyl 4-((pyridin-2-ylthio)methyl)benzoate (CAS 82145-97-9) is a chemical compound with molecular formula C14H13NO2S and molecular weight 259.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(pyridin-2-ylsulfanylmethyl)benzoate
Also Known As: Maybridge1_007972, methyl 4-((pyridin-2-ylthio)methyl)benzoate, methyl 4-[(pyridin-2-ylsulfanyl)methyl]benzoate, methyl 4-(pyridin-2-ylsulfanylmethyl)benzoate
| Molecular Formula | C14H13NO2S |
|---|---|
| Molecular Weight | 259.07 g/mol |
| LogP | 3.1605 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.0667 |
| Heavy Atoms | 18 |
| Complexity | 511.07703 |
Chemical Identifiers
| CAS Number | 82145-97-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)CSC2=CC=CC=N2 |
Product Overview
Methyl 4-((pyridin-2-ylthio)methyl)benzoate (CAS 82145-97-9), with molecular formula C14H13NO2S and molecular weight 259.07 g/mol. IUPAC: methyl 4-(pyridin-2-ylsulfanylmethyl)benzoate.
Chemical Property Profile of Methyl 4-((pyridin-2-ylthio)methyl)benzoate
Property Insights of Methyl 4-((pyridin-2-ylthio)methyl)benzoate
The XLogP value of 3.1605 indicates that Methyl 4-((pyridin-2-ylthio)methyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.19 Ų, Methyl 4-((pyridin-2-ylthio)methyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-((pyridin-2-ylthio)methyl)benzoate 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 4-((pyridin-2-ylthio)methyl)benzoate?
The CAS number of Methyl 4-((pyridin-2-ylthio)methyl)benzoate is 82145-97-9.
What is the molecular formula of Methyl 4-((pyridin-2-ylthio)methyl)benzoate?
The molecular formula of Methyl 4-((pyridin-2-ylthio)methyl)benzoate is C14H13NO2S.
What is the molecular weight of Methyl 4-((pyridin-2-ylthio)methyl)benzoate?
The molecular weight of Methyl 4-((pyridin-2-ylthio)methyl)benzoate is 259.07 g/mol.
Where can I buy Methyl 4-((pyridin-2-ylthio)methyl)benzoate?
You can request a quote for Methyl 4-((pyridin-2-ylthio)methyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-((pyridin-2-ylthio)methyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-((pyridin-2-ylthio)methyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.