![1-cyclopentyl-7-hydroxy-4-(4-methylphenyl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one structure](/static/products/673/673452-71-6.png)
1-cyclopentyl-7-hydroxy-4-(4-methylphenyl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
TL;DR: 1-cyclopentyl-7-hydroxy-4-(4-methylphenyl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one (CAS 673452-71-6) is a chemical compound with molecular formula C18H21N3O2S and molecular weight 343.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclopentyl-4-(4-methylphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
Also Known As: 1-cyclopentyl-7-hydroxy-4-(4-methylphenyl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one, 1-cyclopentyl-4-(4-methylphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione, 1-CYCLOPENTYL-3-HYDROXY-4-(4-METHYLPHENYL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE, 1-cyclopentyl-3-hydroxy-4-(p-tolyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one
| Molecular Formula | C18H21N3O2S |
|---|---|
| Molecular Weight | 343.14 g/mol |
| LogP | 3.37462 |
| Topological Polar Surface Area | 66.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 343.13544 |
| Heavy Atoms | 24 |
| Complexity | 815.77966 |
Chemical Identifiers
| CAS Number | 673452-71-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCCC4 |
Product Overview
1-cyclopentyl-7-hydroxy-4-(4-methylphenyl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one (CAS 673452-71-6), with molecular formula C18H21N3O2S and molecular weight 343.14 g/mol. IUPAC: 1-cyclopentyl-4-(4-methylphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione.
Chemical Property Profile of 1-cyclopentyl-7-hydroxy-4-(4-methylphenyl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Property Insights of 1-cyclopentyl-7-hydroxy-4-(4-methylphenyl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
The XLogP value of 3.37462 indicates that 1-cyclopentyl-7-hydroxy-4-(4-methylphenyl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one 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-cyclopentyl-7-hydroxy-4-(4-methylphenyl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one. Following Lipinski's Rule of Five, 1-cyclopentyl-7-hydroxy-4-(4-methylphenyl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one 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-cyclopentyl-7-hydroxy-4-(4-methylphenyl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one?
The CAS number of 1-cyclopentyl-7-hydroxy-4-(4-methylphenyl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one is 673452-71-6.
What is the molecular formula of 1-cyclopentyl-7-hydroxy-4-(4-methylphenyl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one?
The molecular formula of 1-cyclopentyl-7-hydroxy-4-(4-methylphenyl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one is C18H21N3O2S.
What is the molecular weight of 1-cyclopentyl-7-hydroxy-4-(4-methylphenyl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one?
The molecular weight of 1-cyclopentyl-7-hydroxy-4-(4-methylphenyl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one is 343.14 g/mol.
Where can I buy 1-cyclopentyl-7-hydroxy-4-(4-methylphenyl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one?
You can request a quote for 1-cyclopentyl-7-hydroxy-4-(4-methylphenyl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-cyclopentyl-7-hydroxy-4-(4-methylphenyl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1-cyclopentyl-7-hydroxy-4-(4-methylphenyl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.