![Methyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}benzenecarboxylate structure](/static/products/3853/385383-52-8.webp)
Methyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}benzenecarboxylate
TL;DR: Methyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}benzenecarboxylate (CAS 385383-52-8) is a chemical compound with molecular formula C14H9ClF3NO2S and molecular weight 347.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]benzoate
Also Known As: Methyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}benzenecarboxylate, 2188AE, methyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylbenzoate, [3-methoxy-4-(2-propynyloxy)phenyl]methanol, methyl 2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]thio}benzoate
| Molecular Formula | C14H9ClF3NO2S |
|---|---|
| Molecular Weight | 347.00 g/mol |
| LogP | 4.6916 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.99945 |
| Heavy Atoms | 22 |
| Complexity | 706.7276 |
Chemical Identifiers
| CAS Number | 385383-52-8 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1SC2=C(C=C(C=N2)C(F)(F)F)Cl |
Product Overview
Methyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}benzenecarboxylate (CAS 385383-52-8), with molecular formula C14H9ClF3NO2S and molecular weight 347.00 g/mol. IUPAC: methyl 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]benzoate.
Chemical Property Profile of Methyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}benzenecarboxylate
Property Insights of Methyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}benzenecarboxylate
The XLogP value of 4.6916 indicates that Methyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}benzenecarboxylate 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-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}benzenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]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-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}benzenecarboxylate?
The CAS number of Methyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}benzenecarboxylate is 385383-52-8.
What is the molecular formula of Methyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}benzenecarboxylate?
The molecular formula of Methyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}benzenecarboxylate is C14H9ClF3NO2S.
What is the molecular weight of Methyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}benzenecarboxylate?
The molecular weight of Methyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}benzenecarboxylate is 347.00 g/mol.
Where can I buy Methyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}benzenecarboxylate?
You can request a quote for Methyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]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-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.