2-Benzenesulfonyl-6-sec-butoxy-3H-pyrimidin-4-one
TL;DR: 2-Benzenesulfonyl-6-sec-butoxy-3H-pyrimidin-4-one (CAS 2863-39-0) is a chemical compound with molecular formula C14H16N2O4S and molecular weight 308.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzenesulfonyl)-4-butan-2-yloxy-1H-pyrimidin-6-one
Also Known As: 2-Benzenesulfonyl-6-sec-butoxy-3H-pyrimidin-4-one, J1.320.144G, 2-(benzenesulfonyl)-4-butan-2-yloxy-1H-pyrimidin-6-one, 4(1H)-Pyrimidinone, 6-(1-methylpropoxy)-2-(phenylsulfonyl)-, 6-(sec-Butoxy)-2-(phenylsulfonyl)pyrimidin-4(3H)-one
| Molecular Formula | C14H16N2O4S |
|---|---|
| Molecular Weight | 308.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 93.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.08307 |
| Heavy Atoms | 21 |
| Complexity | 554.0 |
Chemical Identifiers
| CAS Number | 2863-39-0 |
|---|---|
| SMILES | CCC(C)OC1=CC(=O)NC(=N1)S(=O)(=O)C2=CC=CC=C2 |
| InChIKey | VQNQBILSCBVYRO-UHFFFAOYSA-N |
Product Overview
2-Benzenesulfonyl-6-sec-butoxy-3H-pyrimidin-4-one (CAS 2863-39-0), with molecular formula C14H16N2O4S and molecular weight 308.08 g/mol. IUPAC: 2-(benzenesulfonyl)-4-butan-2-yloxy-1H-pyrimidin-6-one.
Chemical Property Profile of 2-Benzenesulfonyl-6-sec-butoxy-3H-pyrimidin-4-one
Property Insights of 2-Benzenesulfonyl-6-sec-butoxy-3H-pyrimidin-4-one
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzenesulfonyl-6-sec-butoxy-3H-pyrimidin-4-one. The TPSA of 93.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzenesulfonyl-6-sec-butoxy-3H-pyrimidin-4-one. Following Lipinski's Rule of Five, 2-Benzenesulfonyl-6-sec-butoxy-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 2-Benzenesulfonyl-6-sec-butoxy-3H-pyrimidin-4-one?
The CAS number of 2-Benzenesulfonyl-6-sec-butoxy-3H-pyrimidin-4-one is 2863-39-0.
What is the molecular formula of 2-Benzenesulfonyl-6-sec-butoxy-3H-pyrimidin-4-one?
The molecular formula of 2-Benzenesulfonyl-6-sec-butoxy-3H-pyrimidin-4-one is C14H16N2O4S.
What is the molecular weight of 2-Benzenesulfonyl-6-sec-butoxy-3H-pyrimidin-4-one?
The molecular weight of 2-Benzenesulfonyl-6-sec-butoxy-3H-pyrimidin-4-one is 308.08 g/mol.
Where can I buy 2-Benzenesulfonyl-6-sec-butoxy-3H-pyrimidin-4-one?
You can request a quote for 2-Benzenesulfonyl-6-sec-butoxy-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 2-Benzenesulfonyl-6-sec-butoxy-3H-pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzenesulfonyl-6-sec-butoxy-3H-pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.