![1-[(4-Chlorophenyl)methyl]-7-(ethylsulfonyl)-3-methyl-1H-pyrazolo[3,4-b][1,5]benzoxazepine structure](/static/products/7937/793718-20-4.webp)
1-[(4-Chlorophenyl)methyl]-7-(ethylsulfonyl)-3-methyl-1H-pyrazolo[3,4-b][1,5]benzoxazepine
TL;DR: 1-[(4-Chlorophenyl)methyl]-7-(ethylsulfonyl)-3-methyl-1H-pyrazolo[3,4-b][1,5]benzoxazepine (CAS 793718-20-4) is a chemical compound with molecular formula C20H18ClN3O3S and molecular weight 415.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-chlorophenyl)methyl]-7-ethylsulfonyl-3-methylpyrazolo[5,4-b][1,5]benzoxazepine
Also Known As: 1-[(4-Chlorophenyl)methyl]-7-(ethylsulfonyl)-3-methyl-1H-pyrazolo[3,4-b][1,5]benzoxazepine, 1-[(4-chlorophenyl)methyl]-7-ethylsulfonyl-3-methylpyrazolo[3,4-b][1,5]benzoxazepine, 1-[(4-Chlorophenyl)methyl]-7-(ethanesulfonyl)-3-methyl-1H-pyrazolo[3,4-b][1,5]benzoxazepine
| Molecular Formula | C20H18ClN3O3S |
|---|---|
| Molecular Weight | 415.08 g/mol |
| LogP | 4.54312 |
| Topological Polar Surface Area | 73.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.07574 |
| Heavy Atoms | 28 |
| Complexity | 1182.1501 |
Chemical Identifiers
| CAS Number | 793718-20-4 |
|---|---|
| SMILES | CCS(=O)(=O)C1=CC2=C(C=C1)OC3=C(C=N2)C(=NN3CC4=CC=C(C=C4)Cl)C |
Product Overview
1-[(4-Chlorophenyl)methyl]-7-(ethylsulfonyl)-3-methyl-1H-pyrazolo[3,4-b][1,5]benzoxazepine (CAS 793718-20-4), with molecular formula C20H18ClN3O3S and molecular weight 415.08 g/mol. IUPAC: 1-[(4-chlorophenyl)methyl]-7-ethylsulfonyl-3-methylpyrazolo[5,4-b][1,5]benzoxazepine.
Chemical Property Profile of 1-[(4-Chlorophenyl)methyl]-7-(ethylsulfonyl)-3-methyl-1H-pyrazolo[3,4-b][1,5]benzoxazepine
Property Insights of 1-[(4-Chlorophenyl)methyl]-7-(ethylsulfonyl)-3-methyl-1H-pyrazolo[3,4-b][1,5]benzoxazepine
The XLogP value of 4.54312 indicates that 1-[(4-Chlorophenyl)methyl]-7-(ethylsulfonyl)-3-methyl-1H-pyrazolo[3,4-b][1,5]benzoxazepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(4-Chlorophenyl)methyl]-7-(ethylsulfonyl)-3-methyl-1H-pyrazolo[3,4-b][1,5]benzoxazepine. Following Lipinski's Rule of Five, 1-[(4-Chlorophenyl)methyl]-7-(ethylsulfonyl)-3-methyl-1H-pyrazolo[3,4-b][1,5]benzoxazepine has 0 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 1-[(4-Chlorophenyl)methyl]-7-(ethylsulfonyl)-3-methyl-1H-pyrazolo[3,4-b][1,5]benzoxazepine?
The CAS number of 1-[(4-Chlorophenyl)methyl]-7-(ethylsulfonyl)-3-methyl-1H-pyrazolo[3,4-b][1,5]benzoxazepine is 793718-20-4.
What is the molecular formula of 1-[(4-Chlorophenyl)methyl]-7-(ethylsulfonyl)-3-methyl-1H-pyrazolo[3,4-b][1,5]benzoxazepine?
The molecular formula of 1-[(4-Chlorophenyl)methyl]-7-(ethylsulfonyl)-3-methyl-1H-pyrazolo[3,4-b][1,5]benzoxazepine is C20H18ClN3O3S.
What is the molecular weight of 1-[(4-Chlorophenyl)methyl]-7-(ethylsulfonyl)-3-methyl-1H-pyrazolo[3,4-b][1,5]benzoxazepine?
The molecular weight of 1-[(4-Chlorophenyl)methyl]-7-(ethylsulfonyl)-3-methyl-1H-pyrazolo[3,4-b][1,5]benzoxazepine is 415.08 g/mol.
Where can I buy 1-[(4-Chlorophenyl)methyl]-7-(ethylsulfonyl)-3-methyl-1H-pyrazolo[3,4-b][1,5]benzoxazepine?
You can request a quote for 1-[(4-Chlorophenyl)methyl]-7-(ethylsulfonyl)-3-methyl-1H-pyrazolo[3,4-b][1,5]benzoxazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(4-Chlorophenyl)methyl]-7-(ethylsulfonyl)-3-methyl-1H-pyrazolo[3,4-b][1,5]benzoxazepine?
Yes, KEHONG BIO provides custom synthesis services for 1-[(4-Chlorophenyl)methyl]-7-(ethylsulfonyl)-3-methyl-1H-pyrazolo[3,4-b][1,5]benzoxazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.