![Methyl 2-[3-cyano-4-[3-(trifluoromethyl)phenyl]pyridin-2-yl]sulfanylbenzoate structure](/static/products/4782/478245-75-9.webp)
Methyl 2-[3-cyano-4-[3-(trifluoromethyl)phenyl]pyridin-2-yl]sulfanylbenzoate
TL;DR: Methyl 2-[3-cyano-4-[3-(trifluoromethyl)phenyl]pyridin-2-yl]sulfanylbenzoate (CAS 478245-75-9) is a chemical compound with molecular formula C21H13F3N2O2S and molecular weight 414.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[3-cyano-4-[3-(trifluoromethyl)phenyl]-2-pyridinyl]sulfanyl]benzoate
Also Known As: 9M-546S, Methyl 2-[3-cyano-4-[3-(trifluoromethyl)phenyl]pyridin-2-yl]sulfanylbenzoate, methyl 2-({3-cyano-4-[3-(trifluoromethyl)phenyl]-2-pyridinyl}sulfanyl)benzenecarboxylate, methyl 2-({3-cyano-4-[3-(trifluoromethyl)phenyl]pyridin-2-yl}sulfanyl)benzoate, methyl2-({3-cyano-4-[3-(trifluoromethyl)phenyl]pyridin-2-yl}sulfanyl)benzoate
| Molecular Formula | C21H13F3N2O2S |
|---|---|
| Molecular Weight | 414.06 g/mol |
| LogP | 5.57688 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.06497 |
| Heavy Atoms | 29 |
| Complexity | 1107.5657 |
Chemical Identifiers
| CAS Number | 478245-75-9 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1SC2=NC=CC(=C2C#N)C3=CC(=CC=C3)C(F)(F)F |
Product Overview
Methyl 2-[3-cyano-4-[3-(trifluoromethyl)phenyl]pyridin-2-yl]sulfanylbenzoate (CAS 478245-75-9), with molecular formula C21H13F3N2O2S and molecular weight 414.06 g/mol. IUPAC: methyl 2-[[3-cyano-4-[3-(trifluoromethyl)phenyl]-2-pyridinyl]sulfanyl]benzoate.
Chemical Property Profile of Methyl 2-[3-cyano-4-[3-(trifluoromethyl)phenyl]pyridin-2-yl]sulfanylbenzoate
Property Insights of Methyl 2-[3-cyano-4-[3-(trifluoromethyl)phenyl]pyridin-2-yl]sulfanylbenzoate
The XLogP value of 5.57688 indicates that Methyl 2-[3-cyano-4-[3-(trifluoromethyl)phenyl]pyridin-2-yl]sulfanylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[3-cyano-4-[3-(trifluoromethyl)phenyl]pyridin-2-yl]sulfanylbenzoate. Following Lipinski's Rule of Five, Methyl 2-[3-cyano-4-[3-(trifluoromethyl)phenyl]pyridin-2-yl]sulfanylbenzoate has 0 hydrogen bond donor(s) and 5 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-cyano-4-[3-(trifluoromethyl)phenyl]pyridin-2-yl]sulfanylbenzoate?
The CAS number of Methyl 2-[3-cyano-4-[3-(trifluoromethyl)phenyl]pyridin-2-yl]sulfanylbenzoate is 478245-75-9.
What is the molecular formula of Methyl 2-[3-cyano-4-[3-(trifluoromethyl)phenyl]pyridin-2-yl]sulfanylbenzoate?
The molecular formula of Methyl 2-[3-cyano-4-[3-(trifluoromethyl)phenyl]pyridin-2-yl]sulfanylbenzoate is C21H13F3N2O2S.
What is the molecular weight of Methyl 2-[3-cyano-4-[3-(trifluoromethyl)phenyl]pyridin-2-yl]sulfanylbenzoate?
The molecular weight of Methyl 2-[3-cyano-4-[3-(trifluoromethyl)phenyl]pyridin-2-yl]sulfanylbenzoate is 414.06 g/mol.
Where can I buy Methyl 2-[3-cyano-4-[3-(trifluoromethyl)phenyl]pyridin-2-yl]sulfanylbenzoate?
You can request a quote for Methyl 2-[3-cyano-4-[3-(trifluoromethyl)phenyl]pyridin-2-yl]sulfanylbenzoate 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-cyano-4-[3-(trifluoromethyl)phenyl]pyridin-2-yl]sulfanylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[3-cyano-4-[3-(trifluoromethyl)phenyl]pyridin-2-yl]sulfanylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.