2-sec-Butoxy-6-(toluene-3-sulfonyl)-pyrimidin-4-ylamine
TL;DR: 2-sec-Butoxy-6-(toluene-3-sulfonyl)-pyrimidin-4-ylamine (CAS 28644-87-3) is a chemical compound with molecular formula C15H19N3O3S and molecular weight 321.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butan-2-yloxy-6-(3-methylphenyl)sulfonylpyrimidin-4-amine
Also Known As: 2-sec-Butoxy-6-(toluene-3-sulfonyl)-pyrimidin-4-ylamine, J1.320.185D, 2-(sec-Butoxy)-6-(m-tolylsulfonyl)pyrimidin-4-amine, 6-(m-tolylsulfonyl)-2-sec-butoxy-pyrimidin-4-amine, 4-Pyrimidinamine, 6-((3-methylphenyl)sulfonyl)-2-(1-methylpropoxy)-
| Molecular Formula | C15H19N3O3S |
|---|---|
| Molecular Weight | 321.11 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.11472 |
| Heavy Atoms | 22 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 28644-87-3 |
|---|---|
| SMILES | CCC(C)OC1=NC(=CC(=N1)S(=O)(=O)C2=CC=CC(=C2)C)N |
| InChIKey | PRVUWMODRYWLGY-UHFFFAOYSA-N |
Product Overview
2-sec-Butoxy-6-(toluene-3-sulfonyl)-pyrimidin-4-ylamine (CAS 28644-87-3), with molecular formula C15H19N3O3S and molecular weight 321.11 g/mol. IUPAC: 2-butan-2-yloxy-6-(3-methylphenyl)sulfonylpyrimidin-4-amine.
Chemical Property Profile of 2-sec-Butoxy-6-(toluene-3-sulfonyl)-pyrimidin-4-ylamine
Property Insights of 2-sec-Butoxy-6-(toluene-3-sulfonyl)-pyrimidin-4-ylamine
The XLogP value of 3.0 indicates that 2-sec-Butoxy-6-(toluene-3-sulfonyl)-pyrimidin-4-ylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-sec-Butoxy-6-(toluene-3-sulfonyl)-pyrimidin-4-ylamine. Following Lipinski's Rule of Five, 2-sec-Butoxy-6-(toluene-3-sulfonyl)-pyrimidin-4-ylamine has 1 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 2-sec-Butoxy-6-(toluene-3-sulfonyl)-pyrimidin-4-ylamine?
The CAS number of 2-sec-Butoxy-6-(toluene-3-sulfonyl)-pyrimidin-4-ylamine is 28644-87-3.
What is the molecular formula of 2-sec-Butoxy-6-(toluene-3-sulfonyl)-pyrimidin-4-ylamine?
The molecular formula of 2-sec-Butoxy-6-(toluene-3-sulfonyl)-pyrimidin-4-ylamine is C15H19N3O3S.
What is the molecular weight of 2-sec-Butoxy-6-(toluene-3-sulfonyl)-pyrimidin-4-ylamine?
The molecular weight of 2-sec-Butoxy-6-(toluene-3-sulfonyl)-pyrimidin-4-ylamine is 321.11 g/mol.
Where can I buy 2-sec-Butoxy-6-(toluene-3-sulfonyl)-pyrimidin-4-ylamine?
You can request a quote for 2-sec-Butoxy-6-(toluene-3-sulfonyl)-pyrimidin-4-ylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-sec-Butoxy-6-(toluene-3-sulfonyl)-pyrimidin-4-ylamine?
Yes, KEHONG BIO provides custom synthesis services for 2-sec-Butoxy-6-(toluene-3-sulfonyl)-pyrimidin-4-ylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.