6-sec-Butoxy-2-(3,5-dimethyl-benzenesulfonyl)-3H-pyrimidin-4-one
TL;DR: 6-sec-Butoxy-2-(3,5-dimethyl-benzenesulfonyl)-3H-pyrimidin-4-one (CAS 28636-90-0) is a chemical compound with molecular formula C16H20N2O4S and molecular weight 336.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butan-2-yloxy-2-(3,5-dimethylphenyl)sulfonyl-1H-pyrimidin-6-one
Also Known As: J1.320.145E, 6-sec-Butoxy-2-(3,5-dimethyl-benzenesulfonyl)-3H-pyrimidin-4-one, 6-(sec-Butoxy)-2-((3,5-dimethylphenyl)sulfonyl)pyrimidin-4(3H)-one, 2-[(3,5-dimethylphenyl)sulfonyl]-6-(1-methylpropoxy)pyrimidin-4(3h)-one, 4(1H)-Pyrimidinone, 2-((3,5-dimethylphenyl)sulfonyl)-6-(1-methylpropoxy)-
| Molecular Formula | C16H20N2O4S |
|---|---|
| Molecular Weight | 336.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 93.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 336.11438 |
| Heavy Atoms | 23 |
| Complexity | 608.0 |
Chemical Identifiers
| CAS Number | 28636-90-0 |
|---|---|
| SMILES | CCC(C)OC1=CC(=O)NC(=N1)S(=O)(=O)C2=CC(=CC(=C2)C)C |
| InChIKey | VPADZXBZGBCAAG-UHFFFAOYSA-N |
Product Overview
6-sec-Butoxy-2-(3,5-dimethyl-benzenesulfonyl)-3H-pyrimidin-4-one (CAS 28636-90-0), with molecular formula C16H20N2O4S and molecular weight 336.11 g/mol. IUPAC: 4-butan-2-yloxy-2-(3,5-dimethylphenyl)sulfonyl-1H-pyrimidin-6-one.
Chemical Property Profile of 6-sec-Butoxy-2-(3,5-dimethyl-benzenesulfonyl)-3H-pyrimidin-4-one
Property Insights of 6-sec-Butoxy-2-(3,5-dimethyl-benzenesulfonyl)-3H-pyrimidin-4-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-sec-Butoxy-2-(3,5-dimethyl-benzenesulfonyl)-3H-pyrimidin-4-one. The TPSA of 93.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-sec-Butoxy-2-(3,5-dimethyl-benzenesulfonyl)-3H-pyrimidin-4-one. Following Lipinski's Rule of Five, 6-sec-Butoxy-2-(3,5-dimethyl-benzenesulfonyl)-3H-pyrimidin-4-one has 1 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 6-sec-Butoxy-2-(3,5-dimethyl-benzenesulfonyl)-3H-pyrimidin-4-one?
The CAS number of 6-sec-Butoxy-2-(3,5-dimethyl-benzenesulfonyl)-3H-pyrimidin-4-one is 28636-90-0.
What is the molecular formula of 6-sec-Butoxy-2-(3,5-dimethyl-benzenesulfonyl)-3H-pyrimidin-4-one?
The molecular formula of 6-sec-Butoxy-2-(3,5-dimethyl-benzenesulfonyl)-3H-pyrimidin-4-one is C16H20N2O4S.
What is the molecular weight of 6-sec-Butoxy-2-(3,5-dimethyl-benzenesulfonyl)-3H-pyrimidin-4-one?
The molecular weight of 6-sec-Butoxy-2-(3,5-dimethyl-benzenesulfonyl)-3H-pyrimidin-4-one is 336.11 g/mol.
Where can I buy 6-sec-Butoxy-2-(3,5-dimethyl-benzenesulfonyl)-3H-pyrimidin-4-one?
You can request a quote for 6-sec-Butoxy-2-(3,5-dimethyl-benzenesulfonyl)-3H-pyrimidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-sec-Butoxy-2-(3,5-dimethyl-benzenesulfonyl)-3H-pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6-sec-Butoxy-2-(3,5-dimethyl-benzenesulfonyl)-3H-pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.