![4-(4-bromophenyl)-1-octan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione structure](/static/products/714/714920-49-7.png)
4-(4-bromophenyl)-1-octan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
TL;DR: 4-(4-bromophenyl)-1-octan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione (CAS 714920-49-7) is a chemical compound with molecular formula C20H26BrN3O2S and molecular weight 451.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-bromophenyl)-1-octan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
Also Known As: 4-(4-bromophenyl)-1-octan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione, 6-(4-bromophenyl)-10-octan-2-yl-5-thia-2,9,10-triazabicyclo[5.3.0]dec-11-ene-3,8-dione, 4-(4-bromophenyl)-1-(octan-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7(2H,6H)-dione, 4-(4-bromophenyl)-3-hydroxy-1-(octan-2-yl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one
| Molecular Formula | C20H26BrN3O2S |
|---|---|
| Molecular Weight | 451.09 g/mol |
| LogP | 5.245 |
| Topological Polar Surface Area | 66.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 451.0929 |
| Heavy Atoms | 27 |
| Complexity | 843.902 |
Chemical Identifiers
| CAS Number | 714920-49-7 |
|---|---|
| SMILES | CCCCCCC(C)N1C2=C(C(SCC(=O)N2)C3=CC=C(C=C3)Br)C(=O)N1 |
Product Overview
4-(4-bromophenyl)-1-octan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione (CAS 714920-49-7), with molecular formula C20H26BrN3O2S and molecular weight 451.09 g/mol. IUPAC: 4-(4-bromophenyl)-1-octan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione.
Chemical Property Profile of 4-(4-bromophenyl)-1-octan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
Property Insights of 4-(4-bromophenyl)-1-octan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
The XLogP value of 5.245 indicates that 4-(4-bromophenyl)-1-octan-2-yl-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-octan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione. Following Lipinski's Rule of Five, 4-(4-bromophenyl)-1-octan-2-yl-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), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(4-bromophenyl)-1-octan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione?
The CAS number of 4-(4-bromophenyl)-1-octan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione is 714920-49-7.
What is the molecular formula of 4-(4-bromophenyl)-1-octan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione?
The molecular formula of 4-(4-bromophenyl)-1-octan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione is C20H26BrN3O2S.
What is the molecular weight of 4-(4-bromophenyl)-1-octan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione?
The molecular weight of 4-(4-bromophenyl)-1-octan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione is 451.09 g/mol.
Where can I buy 4-(4-bromophenyl)-1-octan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione?
You can request a quote for 4-(4-bromophenyl)-1-octan-2-yl-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-octan-2-yl-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-octan-2-yl-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.