![4-(4-bromophenyl)-1-cyclohexyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione structure](/static/products/797/797015-40-8.png)
4-(4-bromophenyl)-1-cyclohexyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
TL;DR: 4-(4-bromophenyl)-1-cyclohexyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione (CAS 797015-40-8) is a chemical compound with molecular formula C18H20BrN3O2S and molecular weight 421.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-bromophenyl)-1-cyclohexyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
Also Known As: 4-(4-bromophenyl)-1-cyclohexyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione, 6-(4-bromophenyl)-10-cyclohexyl-5-thia-2,9,10-triazabicyclo[5.3.0]dec-11-ene-3,8-dione, 4-(4-BROMOPHENYL)-1-CYCLOHEXYL-3-HYDROXY-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE, 4-(4-bromophenyl)-1-cyclohexyl-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 4-(4-bromophenyl)-1-cyclohexyl-3-hydroxy-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one
| Molecular Formula | C18H20BrN3O2S |
|---|---|
| Molecular Weight | 421.05 g/mol |
| LogP | 4.2188 |
| Topological Polar Surface Area | 66.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 421.04596 |
| Heavy Atoms | 25 |
| Complexity | 836.99634 |
Chemical Identifiers
| CAS Number | 797015-40-8 |
|---|---|
| SMILES | C1CCC(CC1)N2C3=C(C(SCC(=O)N3)C4=CC=C(C=C4)Br)C(=O)N2 |
Product Overview
4-(4-bromophenyl)-1-cyclohexyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione (CAS 797015-40-8), with molecular formula C18H20BrN3O2S and molecular weight 421.05 g/mol. IUPAC: 4-(4-bromophenyl)-1-cyclohexyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione.
Chemical Property Profile of 4-(4-bromophenyl)-1-cyclohexyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
Property Insights of 4-(4-bromophenyl)-1-cyclohexyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
The XLogP value of 4.2188 indicates that 4-(4-bromophenyl)-1-cyclohexyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-bromophenyl)-1-cyclohexyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione. Following Lipinski's Rule of Five, 4-(4-bromophenyl)-1-cyclohexyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione has 2 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 4-(4-bromophenyl)-1-cyclohexyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione?
The CAS number of 4-(4-bromophenyl)-1-cyclohexyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione is 797015-40-8.
What is the molecular formula of 4-(4-bromophenyl)-1-cyclohexyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione?
The molecular formula of 4-(4-bromophenyl)-1-cyclohexyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione is C18H20BrN3O2S.
What is the molecular weight of 4-(4-bromophenyl)-1-cyclohexyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione?
The molecular weight of 4-(4-bromophenyl)-1-cyclohexyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione is 421.05 g/mol.
Where can I buy 4-(4-bromophenyl)-1-cyclohexyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione?
You can request a quote for 4-(4-bromophenyl)-1-cyclohexyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-bromophenyl)-1-cyclohexyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-bromophenyl)-1-cyclohexyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.