(3-(azepan-1-ylsulfonyl)-4-chlorophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone
TL;DR: (3-(azepan-1-ylsulfonyl)-4-chlorophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone (CAS 956569-50-9) is a chemical compound with molecular formula C18H22ClN3O3S and molecular weight 395.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(azepan-1-ylsulfonyl)-4-chlorophenyl]-(3,5-dimethylpyrazol-1-yl)methanone
Also Known As: VU0507448-1, F3010-0068, (3-(azepan-1-ylsulfonyl)-4-chlorophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone, [3-(azepan-1-ylsulfonyl)-4-chlorophenyl]-(3,5-dimethylpyrazol-1-yl)methanone, 1-[2-chloro-5-(3,5-dimethyl-1H-pyrazole-1-carbonyl)benzenesulfonyl]azepane
| Molecular Formula | C18H22ClN3O3S |
|---|---|
| Molecular Weight | 395.11 g/mol |
| LogP | 3.40654 |
| Topological Polar Surface Area | 72.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 395.10703 |
| Heavy Atoms | 26 |
| Complexity | 929.15314 |
Chemical Identifiers
| CAS Number | 956569-50-9 |
|---|---|
| SMILES | CC1=CC(=NN1C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3)C |
Product Overview
(3-(azepan-1-ylsulfonyl)-4-chlorophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone (CAS 956569-50-9), with molecular formula C18H22ClN3O3S and molecular weight 395.11 g/mol. IUPAC: [3-(azepan-1-ylsulfonyl)-4-chlorophenyl]-(3,5-dimethylpyrazol-1-yl)methanone.
Chemical Property Profile of (3-(azepan-1-ylsulfonyl)-4-chlorophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone
Property Insights of (3-(azepan-1-ylsulfonyl)-4-chlorophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone
The XLogP value of 3.40654 indicates that (3-(azepan-1-ylsulfonyl)-4-chlorophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)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 (3-(azepan-1-ylsulfonyl)-4-chlorophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone. Following Lipinski's Rule of Five, (3-(azepan-1-ylsulfonyl)-4-chlorophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)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 (3-(azepan-1-ylsulfonyl)-4-chlorophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone?
The CAS number of (3-(azepan-1-ylsulfonyl)-4-chlorophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone is 956569-50-9.
What is the molecular formula of (3-(azepan-1-ylsulfonyl)-4-chlorophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone?
The molecular formula of (3-(azepan-1-ylsulfonyl)-4-chlorophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone is C18H22ClN3O3S.
What is the molecular weight of (3-(azepan-1-ylsulfonyl)-4-chlorophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone?
The molecular weight of (3-(azepan-1-ylsulfonyl)-4-chlorophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone is 395.11 g/mol.
Where can I buy (3-(azepan-1-ylsulfonyl)-4-chlorophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone?
You can request a quote for (3-(azepan-1-ylsulfonyl)-4-chlorophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-(azepan-1-ylsulfonyl)-4-chlorophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (3-(azepan-1-ylsulfonyl)-4-chlorophenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.