1-(3,4,5-Trimethylpyrazol-1-yl)sulfonylazepane
TL;DR: 1-(3,4,5-Trimethylpyrazol-1-yl)sulfonylazepane (CAS 890594-17-9) is a chemical compound with molecular formula C12H21N3O2S and molecular weight 271.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4,5-trimethylpyrazol-1-yl)sulfonylazepane
Also Known As: 1-(3,4,5-trimethylpyrazol-1-yl)sulfonylazepane, 1-[(3,4,5-trimethyl-1H-pyrazol-1-yl)sulfonyl]azepane, F3083-0455, AP-124/43382879, 1-(azaperhydroepinylsulfonyl)-3,4,5-trimethylpyrazole
| Molecular Formula | C12H21N3O2S |
|---|---|
| Molecular Weight | 271.14 g/mol |
| LogP | 1.77726 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.13544 |
| Heavy Atoms | 18 |
| Complexity | 525.7626 |
Chemical Identifiers
| CAS Number | 890594-17-9 |
|---|---|
| SMILES | CC1=C(N(N=C1C)S(=O)(=O)N2CCCCCC2)C |
Product Overview
1-(3,4,5-Trimethylpyrazol-1-yl)sulfonylazepane (CAS 890594-17-9), with molecular formula C12H21N3O2S and molecular weight 271.14 g/mol. IUPAC: 1-(3,4,5-trimethylpyrazol-1-yl)sulfonylazepane.
Chemical Property Profile of 1-(3,4,5-Trimethylpyrazol-1-yl)sulfonylazepane
Property Insights of 1-(3,4,5-Trimethylpyrazol-1-yl)sulfonylazepane
The XLogP value of 1.77726 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4,5-Trimethylpyrazol-1-yl)sulfonylazepane. With a topological polar surface area (TPSA) of 55.2 Ų, 1-(3,4,5-Trimethylpyrazol-1-yl)sulfonylazepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4,5-Trimethylpyrazol-1-yl)sulfonylazepane has 0 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 1-(3,4,5-Trimethylpyrazol-1-yl)sulfonylazepane?
The CAS number of 1-(3,4,5-Trimethylpyrazol-1-yl)sulfonylazepane is 890594-17-9.
What is the molecular formula of 1-(3,4,5-Trimethylpyrazol-1-yl)sulfonylazepane?
The molecular formula of 1-(3,4,5-Trimethylpyrazol-1-yl)sulfonylazepane is C12H21N3O2S.
What is the molecular weight of 1-(3,4,5-Trimethylpyrazol-1-yl)sulfonylazepane?
The molecular weight of 1-(3,4,5-Trimethylpyrazol-1-yl)sulfonylazepane is 271.14 g/mol.
Where can I buy 1-(3,4,5-Trimethylpyrazol-1-yl)sulfonylazepane?
You can request a quote for 1-(3,4,5-Trimethylpyrazol-1-yl)sulfonylazepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4,5-Trimethylpyrazol-1-yl)sulfonylazepane?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4,5-Trimethylpyrazol-1-yl)sulfonylazepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.