![1-butan-2-yl-4-(4-methylphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione structure](/static/products/672/672332-34-2.png)
1-butan-2-yl-4-(4-methylphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
TL;DR: 1-butan-2-yl-4-(4-methylphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione (CAS 672332-34-2) is a chemical compound with molecular formula C17H21N3O2S and molecular weight 331.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butan-2-yl-4-(4-methylphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
Also Known As: 1-butan-2-yl-4-(4-methylphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione, 1-(BUTAN-2-YL)-3-HYDROXY-4-(4-METHYLPHENYL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE, 1-(butan-2-yl)-7-hydroxy-4-(4-methylphenyl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one, 1-(sec-butyl)-3-hydroxy-4-(p-tolyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one
| Molecular Formula | C17H21N3O2S |
|---|---|
| Molecular Weight | 331.14 g/mol |
| LogP | 3.23052 |
| Topological Polar Surface Area | 66.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.13544 |
| Heavy Atoms | 23 |
| Complexity | 776.12646 |
Chemical Identifiers
| CAS Number | 672332-34-2 |
|---|---|
| SMILES | CCC(C)N1C2=C(C(SCC(=O)N2)C3=CC=C(C=C3)C)C(=O)N1 |
Product Overview
1-butan-2-yl-4-(4-methylphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione (CAS 672332-34-2), with molecular formula C17H21N3O2S and molecular weight 331.14 g/mol. IUPAC: 1-butan-2-yl-4-(4-methylphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione.
Chemical Property Profile of 1-butan-2-yl-4-(4-methylphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
Property Insights of 1-butan-2-yl-4-(4-methylphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
The XLogP value of 3.23052 indicates that 1-butan-2-yl-4-(4-methylphenyl)-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 1-butan-2-yl-4-(4-methylphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione. Following Lipinski's Rule of Five, 1-butan-2-yl-4-(4-methylphenyl)-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 1-butan-2-yl-4-(4-methylphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione?
The CAS number of 1-butan-2-yl-4-(4-methylphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione is 672332-34-2.
What is the molecular formula of 1-butan-2-yl-4-(4-methylphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione?
The molecular formula of 1-butan-2-yl-4-(4-methylphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione is C17H21N3O2S.
What is the molecular weight of 1-butan-2-yl-4-(4-methylphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione?
The molecular weight of 1-butan-2-yl-4-(4-methylphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione is 331.14 g/mol.
Where can I buy 1-butan-2-yl-4-(4-methylphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione?
You can request a quote for 1-butan-2-yl-4-(4-methylphenyl)-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 1-butan-2-yl-4-(4-methylphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-butan-2-yl-4-(4-methylphenyl)-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.