![4-(1,3-benzodioxol-5-yl)-1-cyclopentyl-3-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one structure](/static/products/714/714288-94-5.png)
4-(1,3-benzodioxol-5-yl)-1-cyclopentyl-3-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one
TL;DR: 4-(1,3-benzodioxol-5-yl)-1-cyclopentyl-3-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one (CAS 714288-94-5) is a chemical compound with molecular formula C19H21N3O3S and molecular weight 371.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-yl)-1-cyclopentyl-3-methyl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
Also Known As: 4-(1,3-benzodioxol-5-yl)-1-cyclopentyl-3-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one, 4-(1,3-benzodioxol-5-yl)-1-cyclopentyl-3-methyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol, 4-(benzo[d][1,3]dioxol-5-yl)-1-cyclopentyl-3-methyl-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one
| Molecular Formula | C19H21N3O3S |
|---|---|
| Molecular Weight | 371.13 g/mol |
| LogP | 3.81002 |
| Topological Polar Surface Area | 65.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 371.13037 |
| Heavy Atoms | 26 |
| Complexity | 873.15454 |
Chemical Identifiers
| CAS Number | 714288-94-5 |
|---|---|
| SMILES | CC1=NN(C2=C1C(SCC(=O)N2)C3=CC4=C(C=C3)OCO4)C5CCCC5 |
Product Overview
4-(1,3-benzodioxol-5-yl)-1-cyclopentyl-3-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one (CAS 714288-94-5), with molecular formula C19H21N3O3S and molecular weight 371.13 g/mol. IUPAC: 4-(1,3-benzodioxol-5-yl)-1-cyclopentyl-3-methyl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one.
Chemical Property Profile of 4-(1,3-benzodioxol-5-yl)-1-cyclopentyl-3-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one
Property Insights of 4-(1,3-benzodioxol-5-yl)-1-cyclopentyl-3-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one
The XLogP value of 3.81002 indicates that 4-(1,3-benzodioxol-5-yl)-1-cyclopentyl-3-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,3-benzodioxol-5-yl)-1-cyclopentyl-3-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one. Following Lipinski's Rule of Five, 4-(1,3-benzodioxol-5-yl)-1-cyclopentyl-3-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one has 1 hydrogen bond donor(s) and 5 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 4-(1,3-benzodioxol-5-yl)-1-cyclopentyl-3-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one?
The CAS number of 4-(1,3-benzodioxol-5-yl)-1-cyclopentyl-3-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one is 714288-94-5.
What is the molecular formula of 4-(1,3-benzodioxol-5-yl)-1-cyclopentyl-3-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one?
The molecular formula of 4-(1,3-benzodioxol-5-yl)-1-cyclopentyl-3-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one is C19H21N3O3S.
What is the molecular weight of 4-(1,3-benzodioxol-5-yl)-1-cyclopentyl-3-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one?
The molecular weight of 4-(1,3-benzodioxol-5-yl)-1-cyclopentyl-3-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one is 371.13 g/mol.
Where can I buy 4-(1,3-benzodioxol-5-yl)-1-cyclopentyl-3-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one?
You can request a quote for 4-(1,3-benzodioxol-5-yl)-1-cyclopentyl-3-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3-benzodioxol-5-yl)-1-cyclopentyl-3-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-benzodioxol-5-yl)-1-cyclopentyl-3-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.