![3-Cyano-4,6-dimethyl-2-pyridinyl 3-[(dimethylamino)sulfonyl]benzenecarboxylate structure](/static/products/4000/400077-16-9.webp)
3-Cyano-4,6-dimethyl-2-pyridinyl 3-[(dimethylamino)sulfonyl]benzenecarboxylate
TL;DR: 3-Cyano-4,6-dimethyl-2-pyridinyl 3-[(dimethylamino)sulfonyl]benzenecarboxylate (CAS 400077-16-9) is a chemical compound with molecular formula C17H17N3O4S and molecular weight 359.09 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) 3-(dimethylsulfamoyl)benzoate
Also Known As: 12H-347S, (3-cyano-4,6-dimethylpyridin-2-yl) 3-(dimethylsulfamoyl)benzoate, 3-cyano-4,6-dimethyl-2-pyridinyl 3-[(dimethylamino)sulfonyl]benzenecarboxylate, 3-cyano-4,6-dimethylpyridin-2-yl 3-(dimethylsulfamoyl)benzoate, 3-cyano-4,6-dimethylpyridin-2-yl3-(dimethylsulfamoyl)benzoate
| Molecular Formula | C17H17N3O4S |
|---|---|
| Molecular Weight | 359.09 g/mol |
| LogP | 2.03962 |
| Topological Polar Surface Area | 100.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 359.09396 |
| Heavy Atoms | 25 |
| Complexity | 975.87286 |
Chemical Identifiers
| CAS Number | 400077-16-9 |
|---|---|
| SMILES | CC1=CC(=NC(=C1C#N)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C)C |
Product Overview
3-Cyano-4,6-dimethyl-2-pyridinyl 3-[(dimethylamino)sulfonyl]benzenecarboxylate (CAS 400077-16-9), with molecular formula C17H17N3O4S and molecular weight 359.09 g/mol. IUPAC: (3-cyano-4,6-dimethyl-2-pyridinyl) 3-(dimethylsulfamoyl)benzoate.
Chemical Property Profile of 3-Cyano-4,6-dimethyl-2-pyridinyl 3-[(dimethylamino)sulfonyl]benzenecarboxylate
Property Insights of 3-Cyano-4,6-dimethyl-2-pyridinyl 3-[(dimethylamino)sulfonyl]benzenecarboxylate
The XLogP value of 2.03962 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Cyano-4,6-dimethyl-2-pyridinyl 3-[(dimethylamino)sulfonyl]benzenecarboxylate. The TPSA of 100.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Cyano-4,6-dimethyl-2-pyridinyl 3-[(dimethylamino)sulfonyl]benzenecarboxylate. Following Lipinski's Rule of Five, 3-Cyano-4,6-dimethyl-2-pyridinyl 3-[(dimethylamino)sulfonyl]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 3-[(dimethylamino)sulfonyl]benzenecarboxylate?
The CAS number of 3-Cyano-4,6-dimethyl-2-pyridinyl 3-[(dimethylamino)sulfonyl]benzenecarboxylate is 400077-16-9.
What is the molecular formula of 3-Cyano-4,6-dimethyl-2-pyridinyl 3-[(dimethylamino)sulfonyl]benzenecarboxylate?
The molecular formula of 3-Cyano-4,6-dimethyl-2-pyridinyl 3-[(dimethylamino)sulfonyl]benzenecarboxylate is C17H17N3O4S.
What is the molecular weight of 3-Cyano-4,6-dimethyl-2-pyridinyl 3-[(dimethylamino)sulfonyl]benzenecarboxylate?
The molecular weight of 3-Cyano-4,6-dimethyl-2-pyridinyl 3-[(dimethylamino)sulfonyl]benzenecarboxylate is 359.09 g/mol.
Where can I buy 3-Cyano-4,6-dimethyl-2-pyridinyl 3-[(dimethylamino)sulfonyl]benzenecarboxylate?
You can request a quote for 3-Cyano-4,6-dimethyl-2-pyridinyl 3-[(dimethylamino)sulfonyl]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 3-[(dimethylamino)sulfonyl]benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyano-4,6-dimethyl-2-pyridinyl 3-[(dimethylamino)sulfonyl]benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.