![1-pentan-2-yl-4-phenyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione structure](/static/products/5777/577761-84-3.webp)
1-pentan-2-yl-4-phenyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
TL;DR: 1-pentan-2-yl-4-phenyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione (CAS 577761-84-3) 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-pentan-2-yl-4-phenyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
Also Known As: 1-pentan-2-yl-4-phenyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione, A3757/0159326, 7-hydroxy-1-(pentan-2-yl)-4-phenyl-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one, 1-(Pentan-2-yl)-4-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7(2H,6H)-dione, 1H-Pyrazolo[3,4-E][1,4]thiazepin-7(6H)-one, 4,8-dihydro-3-hydroxy-1-(1-methylbutyl)-4-phenyl-
| Molecular Formula | C17H21N3O2S |
|---|---|
| Molecular Weight | 331.14 g/mol |
| LogP | 3.3122 |
| Topological Polar Surface Area | 66.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.13544 |
| Heavy Atoms | 23 |
| Complexity | 750.94415 |
Chemical Identifiers
| CAS Number | 577761-84-3 |
|---|---|
| SMILES | CCCC(C)N1C2=C(C(SCC(=O)N2)C3=CC=CC=C3)C(=O)N1 |
Product Overview
1-pentan-2-yl-4-phenyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione (CAS 577761-84-3), with molecular formula C17H21N3O2S and molecular weight 331.14 g/mol. IUPAC: 1-pentan-2-yl-4-phenyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione.
Chemical Property Profile of 1-pentan-2-yl-4-phenyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
Property Insights of 1-pentan-2-yl-4-phenyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
The XLogP value of 3.3122 indicates that 1-pentan-2-yl-4-phenyl-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-pentan-2-yl-4-phenyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione. Following Lipinski's Rule of Five, 1-pentan-2-yl-4-phenyl-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-pentan-2-yl-4-phenyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione?
The CAS number of 1-pentan-2-yl-4-phenyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione is 577761-84-3.
What is the molecular formula of 1-pentan-2-yl-4-phenyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione?
The molecular formula of 1-pentan-2-yl-4-phenyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione is C17H21N3O2S.
What is the molecular weight of 1-pentan-2-yl-4-phenyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione?
The molecular weight of 1-pentan-2-yl-4-phenyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione is 331.14 g/mol.
Where can I buy 1-pentan-2-yl-4-phenyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione?
You can request a quote for 1-pentan-2-yl-4-phenyl-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-pentan-2-yl-4-phenyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-pentan-2-yl-4-phenyl-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.