![Methyl 2-{[3-(4-chlorophenyl)quinolin-2-yl]sulfanyl}benzoate structure](/static/products/3391/339102-97-5.webp)
Methyl 2-{[3-(4-chlorophenyl)quinolin-2-yl]sulfanyl}benzoate
TL;DR: Methyl 2-{[3-(4-chlorophenyl)quinolin-2-yl]sulfanyl}benzoate (CAS 339102-97-5) is a chemical compound with molecular formula C23H16ClNO2S and molecular weight 405.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-(4-chlorophenyl)quinolin-2-yl]sulfanylbenzoate
Also Known As: 8K-354S, methyl 2-{[3-(4-chlorophenyl)quinolin-2-yl]sulfanyl}benzoate, Methyl 2-[3-(4-chlorophenyl)quinolin-2-yl]sulfanylbenzoate, methyl 2-{[3-(4-chlorophenyl)-2-quinolinyl]sulfanyl}benzenecarboxylate, methyl2-{[3-(4-chlorophenyl)quinolin-2-yl]sulfanyl}benzoate
| Molecular Formula | C23H16ClNO2S |
|---|---|
| Molecular Weight | 405.06 g/mol |
| LogP | 6.493 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 405.05902 |
| Heavy Atoms | 28 |
| Complexity | 1158.828 |
Chemical Identifiers
| CAS Number | 339102-97-5 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1SC2=NC3=CC=CC=C3C=C2C4=CC=C(C=C4)Cl |
Product Overview
Methyl 2-{[3-(4-chlorophenyl)quinolin-2-yl]sulfanyl}benzoate (CAS 339102-97-5), with molecular formula C23H16ClNO2S and molecular weight 405.06 g/mol. IUPAC: methyl 2-[3-(4-chlorophenyl)quinolin-2-yl]sulfanylbenzoate.
Chemical Property Profile of Methyl 2-{[3-(4-chlorophenyl)quinolin-2-yl]sulfanyl}benzoate
Property Insights of Methyl 2-{[3-(4-chlorophenyl)quinolin-2-yl]sulfanyl}benzoate
The XLogP value of 6.493 indicates that Methyl 2-{[3-(4-chlorophenyl)quinolin-2-yl]sulfanyl}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 2-{[3-(4-chlorophenyl)quinolin-2-yl]sulfanyl}benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-{[3-(4-chlorophenyl)quinolin-2-yl]sulfanyl}benzoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 2-{[3-(4-chlorophenyl)quinolin-2-yl]sulfanyl}benzoate?
The CAS number of Methyl 2-{[3-(4-chlorophenyl)quinolin-2-yl]sulfanyl}benzoate is 339102-97-5.
What is the molecular formula of Methyl 2-{[3-(4-chlorophenyl)quinolin-2-yl]sulfanyl}benzoate?
The molecular formula of Methyl 2-{[3-(4-chlorophenyl)quinolin-2-yl]sulfanyl}benzoate is C23H16ClNO2S.
What is the molecular weight of Methyl 2-{[3-(4-chlorophenyl)quinolin-2-yl]sulfanyl}benzoate?
The molecular weight of Methyl 2-{[3-(4-chlorophenyl)quinolin-2-yl]sulfanyl}benzoate is 405.06 g/mol.
Where can I buy Methyl 2-{[3-(4-chlorophenyl)quinolin-2-yl]sulfanyl}benzoate?
You can request a quote for Methyl 2-{[3-(4-chlorophenyl)quinolin-2-yl]sulfanyl}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-{[3-(4-chlorophenyl)quinolin-2-yl]sulfanyl}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-{[3-(4-chlorophenyl)quinolin-2-yl]sulfanyl}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.