3-(isopentylsulfonyl)-4,6-dimethyl-2(1H)-pyridinone
TL;DR: 3-(isopentylsulfonyl)-4,6-dimethyl-2(1H)-pyridinone (CAS 866038-62-2) is a chemical compound with molecular formula C12H19NO3S and molecular weight 257.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dimethyl-3-(3-methylbutylsulfonyl)-1H-pyridin-2-one
Also Known As: 3-(isopentylsulfonyl)-4,6-dimethyl-2(1H)-pyridinone, 4,6-dimethyl-3-(3-methylbutylsulfonyl)-1H-pyridin-2-one, 4,6-dimethyl-3-(3-methylbutanesulfonyl)-1,2-dihydropyridin-2-one, 3-isopentylsulfonyl-4,6-dimethyl-1H-pyridin-2-one, 4,6-dimethyl-3-(3-methylbutanesulfonyl)-1H-pyridin-2-one
| Molecular Formula | C12H19NO3S |
|---|---|
| Molecular Weight | 257.11 g/mol |
| LogP | 1.81154 |
| Topological Polar Surface Area | 67.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 257.10855 |
| Heavy Atoms | 17 |
| Complexity | 555.60376 |
Chemical Identifiers
| CAS Number | 866038-62-2 |
|---|---|
| SMILES | CC1=CC(=C(C(=O)N1)S(=O)(=O)CCC(C)C)C |
Product Overview
3-(isopentylsulfonyl)-4,6-dimethyl-2(1H)-pyridinone (CAS 866038-62-2), with molecular formula C12H19NO3S and molecular weight 257.11 g/mol. IUPAC: 4,6-dimethyl-3-(3-methylbutylsulfonyl)-1H-pyridin-2-one.
Chemical Property Profile of 3-(isopentylsulfonyl)-4,6-dimethyl-2(1H)-pyridinone
Property Insights of 3-(isopentylsulfonyl)-4,6-dimethyl-2(1H)-pyridinone
The XLogP value of 1.81154 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(isopentylsulfonyl)-4,6-dimethyl-2(1H)-pyridinone. The TPSA of 67.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(isopentylsulfonyl)-4,6-dimethyl-2(1H)-pyridinone. Following Lipinski's Rule of Five, 3-(isopentylsulfonyl)-4,6-dimethyl-2(1H)-pyridinone has 1 hydrogen bond donor(s) and 3 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-(isopentylsulfonyl)-4,6-dimethyl-2(1H)-pyridinone?
The CAS number of 3-(isopentylsulfonyl)-4,6-dimethyl-2(1H)-pyridinone is 866038-62-2.
What is the molecular formula of 3-(isopentylsulfonyl)-4,6-dimethyl-2(1H)-pyridinone?
The molecular formula of 3-(isopentylsulfonyl)-4,6-dimethyl-2(1H)-pyridinone is C12H19NO3S.
What is the molecular weight of 3-(isopentylsulfonyl)-4,6-dimethyl-2(1H)-pyridinone?
The molecular weight of 3-(isopentylsulfonyl)-4,6-dimethyl-2(1H)-pyridinone is 257.11 g/mol.
Where can I buy 3-(isopentylsulfonyl)-4,6-dimethyl-2(1H)-pyridinone?
You can request a quote for 3-(isopentylsulfonyl)-4,6-dimethyl-2(1H)-pyridinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(isopentylsulfonyl)-4,6-dimethyl-2(1H)-pyridinone?
Yes, KEHONG BIO provides custom synthesis services for 3-(isopentylsulfonyl)-4,6-dimethyl-2(1H)-pyridinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.