4,6-Dimethyl-3-(phenylsulfonyl)-2-pyridinyl 2,4,6-trifluorobenzenecarboxylate
TL;DR: 4,6-Dimethyl-3-(phenylsulfonyl)-2-pyridinyl 2,4,6-trifluorobenzenecarboxylate (CAS 338953-75-6) is a chemical compound with molecular formula C20H14F3NO4S and molecular weight 421.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(benzenesulfonyl)-4,6-dimethyl-2-pyridinyl] 2,4,6-trifluorobenzoate
Also Known As: 5H-324S, 4,6-dimethyl-3-(phenylsulfonyl)-2-pyridinyl 2,4,6-trifluorobenzenecarboxylate, [3-(benzenesulfonyl)-4,6-dimethylpyridin-2-yl] 2,4,6-trifluorobenzoate, 3-(benzenesulfonyl)-4,6-dimethylpyridin-2-yl 2,4,6-trifluorobenzoate
| Molecular Formula | C20H14F3NO4S |
|---|---|
| Molecular Weight | 421.06 g/mol |
| LogP | 4.16774 |
| Topological Polar Surface Area | 73.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 421.05957 |
| Heavy Atoms | 29 |
| Complexity | 1188.8911 |
Chemical Identifiers
| CAS Number | 338953-75-6 |
|---|---|
| SMILES | CC1=CC(=NC(=C1S(=O)(=O)C2=CC=CC=C2)OC(=O)C3=C(C=C(C=C3F)F)F)C |
Product Overview
4,6-Dimethyl-3-(phenylsulfonyl)-2-pyridinyl 2,4,6-trifluorobenzenecarboxylate (CAS 338953-75-6), with molecular formula C20H14F3NO4S and molecular weight 421.06 g/mol. IUPAC: [3-(benzenesulfonyl)-4,6-dimethyl-2-pyridinyl] 2,4,6-trifluorobenzoate.
Chemical Property Profile of 4,6-Dimethyl-3-(phenylsulfonyl)-2-pyridinyl 2,4,6-trifluorobenzenecarboxylate
Property Insights of 4,6-Dimethyl-3-(phenylsulfonyl)-2-pyridinyl 2,4,6-trifluorobenzenecarboxylate
The XLogP value of 4.16774 indicates that 4,6-Dimethyl-3-(phenylsulfonyl)-2-pyridinyl 2,4,6-trifluorobenzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6-Dimethyl-3-(phenylsulfonyl)-2-pyridinyl 2,4,6-trifluorobenzenecarboxylate. Following Lipinski's Rule of Five, 4,6-Dimethyl-3-(phenylsulfonyl)-2-pyridinyl 2,4,6-trifluorobenzenecarboxylate has 0 hydrogen bond donor(s) and 5 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 4,6-Dimethyl-3-(phenylsulfonyl)-2-pyridinyl 2,4,6-trifluorobenzenecarboxylate?
The CAS number of 4,6-Dimethyl-3-(phenylsulfonyl)-2-pyridinyl 2,4,6-trifluorobenzenecarboxylate is 338953-75-6.
What is the molecular formula of 4,6-Dimethyl-3-(phenylsulfonyl)-2-pyridinyl 2,4,6-trifluorobenzenecarboxylate?
The molecular formula of 4,6-Dimethyl-3-(phenylsulfonyl)-2-pyridinyl 2,4,6-trifluorobenzenecarboxylate is C20H14F3NO4S.
What is the molecular weight of 4,6-Dimethyl-3-(phenylsulfonyl)-2-pyridinyl 2,4,6-trifluorobenzenecarboxylate?
The molecular weight of 4,6-Dimethyl-3-(phenylsulfonyl)-2-pyridinyl 2,4,6-trifluorobenzenecarboxylate is 421.06 g/mol.
Where can I buy 4,6-Dimethyl-3-(phenylsulfonyl)-2-pyridinyl 2,4,6-trifluorobenzenecarboxylate?
You can request a quote for 4,6-Dimethyl-3-(phenylsulfonyl)-2-pyridinyl 2,4,6-trifluorobenzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Dimethyl-3-(phenylsulfonyl)-2-pyridinyl 2,4,6-trifluorobenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Dimethyl-3-(phenylsulfonyl)-2-pyridinyl 2,4,6-trifluorobenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.