![4-(4-butoxyphenyl)-1-cycloheptyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione structure](/static/products/578/578002-69-4.png)
4-(4-butoxyphenyl)-1-cycloheptyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
TL;DR: 4-(4-butoxyphenyl)-1-cycloheptyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione (CAS 578002-69-4) is a chemical compound with molecular formula C23H31N3O3S and molecular weight 429.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-butoxyphenyl)-1-cycloheptyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
Also Known As: 4-(4-butoxyphenyl)-1-cycloheptyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione, 4-(4-BUTOXYPHENYL)-1-CYCLOHEPTYL-3-HYDROXY-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE, 4-(4-butoxyphenyl)-1-cycloheptyl-3-hydroxy-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one, 4-(4-butoxyphenyl)-1-cycloheptyl-7-hydroxy-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
| Molecular Formula | C23H31N3O3S |
|---|---|
| Molecular Weight | 429.21 g/mol |
| LogP | 5.0253 |
| Topological Polar Surface Area | 76.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 429.20862 |
| Heavy Atoms | 30 |
| Complexity | 910.76483 |
Chemical Identifiers
| CAS Number | 578002-69-4 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCCCCC4 |
Product Overview
4-(4-butoxyphenyl)-1-cycloheptyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione (CAS 578002-69-4), with molecular formula C23H31N3O3S and molecular weight 429.21 g/mol. IUPAC: 4-(4-butoxyphenyl)-1-cycloheptyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione.
Chemical Property Profile of 4-(4-butoxyphenyl)-1-cycloheptyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
Property Insights of 4-(4-butoxyphenyl)-1-cycloheptyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
The XLogP value of 5.0253 indicates that 4-(4-butoxyphenyl)-1-cycloheptyl-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 76.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-butoxyphenyl)-1-cycloheptyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione. Following Lipinski's Rule of Five, 4-(4-butoxyphenyl)-1-cycloheptyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione has 2 hydrogen bond donor(s) and 4 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-butoxyphenyl)-1-cycloheptyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione?
The CAS number of 4-(4-butoxyphenyl)-1-cycloheptyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione is 578002-69-4.
What is the molecular formula of 4-(4-butoxyphenyl)-1-cycloheptyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione?
The molecular formula of 4-(4-butoxyphenyl)-1-cycloheptyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione is C23H31N3O3S.
What is the molecular weight of 4-(4-butoxyphenyl)-1-cycloheptyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione?
The molecular weight of 4-(4-butoxyphenyl)-1-cycloheptyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione is 429.21 g/mol.
Where can I buy 4-(4-butoxyphenyl)-1-cycloheptyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione?
You can request a quote for 4-(4-butoxyphenyl)-1-cycloheptyl-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-butoxyphenyl)-1-cycloheptyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-butoxyphenyl)-1-cycloheptyl-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.