![1-CYCLOHEPTYL-4-(3,4-DIMETHOXYPHENYL)-3-HYDROXY-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE structure](/static/products/577/577761-68-3.png)
1-CYCLOHEPTYL-4-(3,4-DIMETHOXYPHENYL)-3-HYDROXY-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE
TL;DR: 1-CYCLOHEPTYL-4-(3,4-DIMETHOXYPHENYL)-3-HYDROXY-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE (CAS 577761-68-3) is a chemical compound with molecular formula C21H27N3O4S and molecular weight 417.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cycloheptyl-4-(3,4-dimethoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
Also Known As: 1-CYCLOHEPTYL-4-(3,4-DIMETHOXYPHENYL)-3-HYDROXY-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE, 1-cycloheptyl-4-(3,4-dimethoxyphenyl)-3-hydroxy-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one, 1-cycloheptyl-4-(3,4-dimethoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione, 1-cycloheptyl-4-(3,4-dimethoxyphenyl)-7-hydroxy-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
| Molecular Formula | C21H27N3O4S |
|---|---|
| Molecular Weight | 417.17 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.17224 |
| Heavy Atoms | 29 |
| Complexity | 662.0 |
Chemical Identifiers
| CAS Number | 577761-68-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCCCCC4)OC |
| InChIKey | XFXOCFNPOXNWPI-UHFFFAOYSA-N |
Product Overview
1-CYCLOHEPTYL-4-(3,4-DIMETHOXYPHENYL)-3-HYDROXY-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE (CAS 577761-68-3), with molecular formula C21H27N3O4S and molecular weight 417.17 g/mol. IUPAC: 1-cycloheptyl-4-(3,4-dimethoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione.
Chemical Property Profile of 1-CYCLOHEPTYL-4-(3,4-DIMETHOXYPHENYL)-3-HYDROXY-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE
Property Insights of 1-CYCLOHEPTYL-4-(3,4-DIMETHOXYPHENYL)-3-HYDROXY-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE
The XLogP value of 3.5 indicates that 1-CYCLOHEPTYL-4-(3,4-DIMETHOXYPHENYL)-3-HYDROXY-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-CYCLOHEPTYL-4-(3,4-DIMETHOXYPHENYL)-3-HYDROXY-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE. Following Lipinski's Rule of Five, 1-CYCLOHEPTYL-4-(3,4-DIMETHOXYPHENYL)-3-HYDROXY-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE has 2 hydrogen bond donor(s) and 6 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-CYCLOHEPTYL-4-(3,4-DIMETHOXYPHENYL)-3-HYDROXY-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE?
The CAS number of 1-CYCLOHEPTYL-4-(3,4-DIMETHOXYPHENYL)-3-HYDROXY-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE is 577761-68-3.
What is the molecular formula of 1-CYCLOHEPTYL-4-(3,4-DIMETHOXYPHENYL)-3-HYDROXY-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE?
The molecular formula of 1-CYCLOHEPTYL-4-(3,4-DIMETHOXYPHENYL)-3-HYDROXY-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE is C21H27N3O4S.
What is the molecular weight of 1-CYCLOHEPTYL-4-(3,4-DIMETHOXYPHENYL)-3-HYDROXY-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE?
The molecular weight of 1-CYCLOHEPTYL-4-(3,4-DIMETHOXYPHENYL)-3-HYDROXY-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE is 417.17 g/mol.
Where can I buy 1-CYCLOHEPTYL-4-(3,4-DIMETHOXYPHENYL)-3-HYDROXY-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE?
You can request a quote for 1-CYCLOHEPTYL-4-(3,4-DIMETHOXYPHENYL)-3-HYDROXY-1H,4H,6H,7H,8H-PYRAZOLO[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 1-CYCLOHEPTYL-4-(3,4-DIMETHOXYPHENYL)-3-HYDROXY-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE?
Yes, KEHONG BIO provides custom synthesis services for 1-CYCLOHEPTYL-4-(3,4-DIMETHOXYPHENYL)-3-HYDROXY-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.