![[4-(Azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-(2,6-difluorophenyl)methanone structure](/static/products/904/904823-20-7.png)
[4-(Azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-(2,6-difluorophenyl)methanone
TL;DR: [4-(Azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-(2,6-difluorophenyl)methanone (CAS 904823-20-7) is a chemical compound with molecular formula C18H21F2N3O3S and molecular weight 397.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-(2,6-difluorophenyl)methanone
Also Known As: G680-0273, F2065-0275, 1-{[1-(2,6-difluorobenzoyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}azepane, [4-(azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-(2,6-difluorophenyl)methanone, (4-(azepan-1-ylsulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl)(2,6-difluorophenyl)methanone
| Molecular Formula | C18H21F2N3O3S |
|---|---|
| Molecular Weight | 397.13 g/mol |
| LogP | 3.03134 |
| Topological Polar Surface Area | 72.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 397.12717 |
| Heavy Atoms | 27 |
| Complexity | 957.72833 |
Chemical Identifiers
| CAS Number | 904823-20-7 |
|---|---|
| SMILES | CC1=C(C(=NN1C(=O)C2=C(C=CC=C2F)F)C)S(=O)(=O)N3CCCCCC3 |
Product Overview
[4-(Azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-(2,6-difluorophenyl)methanone (CAS 904823-20-7), with molecular formula C18H21F2N3O3S and molecular weight 397.13 g/mol. IUPAC: [4-(azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-(2,6-difluorophenyl)methanone.
Chemical Property Profile of [4-(Azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-(2,6-difluorophenyl)methanone
Property Insights of [4-(Azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-(2,6-difluorophenyl)methanone
The XLogP value of 3.03134 indicates that [4-(Azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-(2,6-difluorophenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.27 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-(Azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-(2,6-difluorophenyl)methanone. Following Lipinski's Rule of Five, [4-(Azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-(2,6-difluorophenyl)methanone has 0 hydrogen bond donor(s) and 4 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 [4-(Azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-(2,6-difluorophenyl)methanone?
The CAS number of [4-(Azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-(2,6-difluorophenyl)methanone is 904823-20-7.
What is the molecular formula of [4-(Azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-(2,6-difluorophenyl)methanone?
The molecular formula of [4-(Azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-(2,6-difluorophenyl)methanone is C18H21F2N3O3S.
What is the molecular weight of [4-(Azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-(2,6-difluorophenyl)methanone?
The molecular weight of [4-(Azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-(2,6-difluorophenyl)methanone is 397.13 g/mol.
Where can I buy [4-(Azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-(2,6-difluorophenyl)methanone?
You can request a quote for [4-(Azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-(2,6-difluorophenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-(Azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-(2,6-difluorophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for [4-(Azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-(2,6-difluorophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.