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Methyl 4-{[(4-chlorophenyl)thio]methyl}benzoate
TL;DR: Methyl 4-{[(4-chlorophenyl)thio]methyl}benzoate (CAS 159583-99-0) is a chemical compound with molecular formula C15H13ClO2S and molecular weight 292.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(4-chlorophenyl)sulfanylmethyl]benzoate
Also Known As: Maybridge1_008192, methyl 4-{[(4-chlorophenyl)thio]methyl}benzoate, BAS 00288603, Methyl 4-(((4-chlorophenyl)thio)methyl)benzoate, methyl 4-[(4-chlorophenyl)sulfanylmethyl]benzoate
| Molecular Formula | C15H13ClO2S |
|---|---|
| Molecular Weight | 292.03 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 292.03247 |
| Heavy Atoms | 19 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 159583-99-0 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)CSC2=CC=C(C=C2)Cl |
| InChIKey | LKLHIYGYGCUHNI-UHFFFAOYSA-N |
Product Overview
Methyl 4-{[(4-chlorophenyl)thio]methyl}benzoate (CAS 159583-99-0), with molecular formula C15H13ClO2S and molecular weight 292.03 g/mol. IUPAC: methyl 4-[(4-chlorophenyl)sulfanylmethyl]benzoate.
Chemical Property Profile of Methyl 4-{[(4-chlorophenyl)thio]methyl}benzoate
Property Insights of Methyl 4-{[(4-chlorophenyl)thio]methyl}benzoate
The XLogP value of 4.8 indicates that Methyl 4-{[(4-chlorophenyl)thio]methyl}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.6 Ų, Methyl 4-{[(4-chlorophenyl)thio]methyl}benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-{[(4-chlorophenyl)thio]methyl}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 4-{[(4-chlorophenyl)thio]methyl}benzoate?
The CAS number of Methyl 4-{[(4-chlorophenyl)thio]methyl}benzoate is 159583-99-0.
What is the molecular formula of Methyl 4-{[(4-chlorophenyl)thio]methyl}benzoate?
The molecular formula of Methyl 4-{[(4-chlorophenyl)thio]methyl}benzoate is C15H13ClO2S.
What is the molecular weight of Methyl 4-{[(4-chlorophenyl)thio]methyl}benzoate?
The molecular weight of Methyl 4-{[(4-chlorophenyl)thio]methyl}benzoate is 292.03 g/mol.
Where can I buy Methyl 4-{[(4-chlorophenyl)thio]methyl}benzoate?
You can request a quote for Methyl 4-{[(4-chlorophenyl)thio]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-{[(4-chlorophenyl)thio]methyl}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-{[(4-chlorophenyl)thio]methyl}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.