3-Cyano-4,6-dimethyl-2-pyridinyl 2-chloro-4-(methylsulfonyl)benzenecarboxylate
TL;DR: 3-Cyano-4,6-dimethyl-2-pyridinyl 2-chloro-4-(methylsulfonyl)benzenecarboxylate (CAS 338421-40-2) is a chemical compound with molecular formula C16H13ClN2O4S and molecular weight 364.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-cyano-4,6-dimethyl-2-pyridinyl) 2-chloro-4-methylsulfonylbenzoate
Also Known As: 4H-375S, 3-cyano-4,6-dimethyl-2-pyridinyl 2-chloro-4-(methylsulfonyl)benzenecarboxylate, (3-cyano-4,6-dimethylpyridin-2-yl) 2-chloro-4-methylsulfonylbenzoate, 3-cyano-4,6-dimethylpyridin-2-yl 2-chloro-4-methanesulfonylbenzoate, 3-Cyano-4,6-dimethyl-2-pyridinyl 2-chloro-4-(methylsulfonyl)benzoate
| Molecular Formula | C16H13ClN2O4S |
|---|---|
| Molecular Weight | 364.03 g/mol |
| LogP | 2.84622 |
| Topological Polar Surface Area | 97.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 364.02844 |
| Heavy Atoms | 24 |
| Complexity | 978.3024 |
Chemical Identifiers
| CAS Number | 338421-40-2 |
|---|---|
| SMILES | CC1=CC(=NC(=C1C#N)OC(=O)C2=C(C=C(C=C2)S(=O)(=O)C)Cl)C |
Product Overview
3-Cyano-4,6-dimethyl-2-pyridinyl 2-chloro-4-(methylsulfonyl)benzenecarboxylate (CAS 338421-40-2), with molecular formula C16H13ClN2O4S and molecular weight 364.03 g/mol. IUPAC: (3-cyano-4,6-dimethyl-2-pyridinyl) 2-chloro-4-methylsulfonylbenzoate.
Chemical Property Profile of 3-Cyano-4,6-dimethyl-2-pyridinyl 2-chloro-4-(methylsulfonyl)benzenecarboxylate
Property Insights of 3-Cyano-4,6-dimethyl-2-pyridinyl 2-chloro-4-(methylsulfonyl)benzenecarboxylate
The XLogP value of 2.84622 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Cyano-4,6-dimethyl-2-pyridinyl 2-chloro-4-(methylsulfonyl)benzenecarboxylate. The TPSA of 97.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Cyano-4,6-dimethyl-2-pyridinyl 2-chloro-4-(methylsulfonyl)benzenecarboxylate. Following Lipinski's Rule of Five, 3-Cyano-4,6-dimethyl-2-pyridinyl 2-chloro-4-(methylsulfonyl)benzenecarboxylate has 0 hydrogen bond donor(s) and 6 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 3-Cyano-4,6-dimethyl-2-pyridinyl 2-chloro-4-(methylsulfonyl)benzenecarboxylate?
The CAS number of 3-Cyano-4,6-dimethyl-2-pyridinyl 2-chloro-4-(methylsulfonyl)benzenecarboxylate is 338421-40-2.
What is the molecular formula of 3-Cyano-4,6-dimethyl-2-pyridinyl 2-chloro-4-(methylsulfonyl)benzenecarboxylate?
The molecular formula of 3-Cyano-4,6-dimethyl-2-pyridinyl 2-chloro-4-(methylsulfonyl)benzenecarboxylate is C16H13ClN2O4S.
What is the molecular weight of 3-Cyano-4,6-dimethyl-2-pyridinyl 2-chloro-4-(methylsulfonyl)benzenecarboxylate?
The molecular weight of 3-Cyano-4,6-dimethyl-2-pyridinyl 2-chloro-4-(methylsulfonyl)benzenecarboxylate is 364.03 g/mol.
Where can I buy 3-Cyano-4,6-dimethyl-2-pyridinyl 2-chloro-4-(methylsulfonyl)benzenecarboxylate?
You can request a quote for 3-Cyano-4,6-dimethyl-2-pyridinyl 2-chloro-4-(methylsulfonyl)benzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Cyano-4,6-dimethyl-2-pyridinyl 2-chloro-4-(methylsulfonyl)benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyano-4,6-dimethyl-2-pyridinyl 2-chloro-4-(methylsulfonyl)benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.