![1-(2,2-DIMETHYLOXAN-4-YL)-3-HYDROXY-4-[4-(PROPAN-2-YLOXY)PHENYL]-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE structure](/static/products/797/797015-73-7.png)
1-(2,2-DIMETHYLOXAN-4-YL)-3-HYDROXY-4-[4-(PROPAN-2-YLOXY)PHENYL]-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE
TL;DR: 1-(2,2-DIMETHYLOXAN-4-YL)-3-HYDROXY-4-[4-(PROPAN-2-YLOXY)PHENYL]-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE (CAS 797015-73-7) is a chemical compound with molecular formula C22H29N3O4S and molecular weight 431.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,2-dimethyloxan-4-yl)-4-(4-propan-2-yloxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
Also Known As: 1-(2,2-DIMETHYLOXAN-4-YL)-3-HYDROXY-4-[4-(PROPAN-2-YLOXY)PHENYL]-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE, 1-(2,2-dimethyloxan-4-yl)-4-(4-propan-2-yloxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione, 1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-hydroxy-4-(4-isopropoxyphenyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one, 1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-hydroxy-4-[4-(propan-2-yloxy)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
| Molecular Formula | C22H29N3O4S |
|---|---|
| Molecular Weight | 431.19 g/mol |
| LogP | 3.8684 |
| Topological Polar Surface Area | 85.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 431.18787 |
| Heavy Atoms | 30 |
| Complexity | 977.25916 |
Chemical Identifiers
| CAS Number | 797015-73-7 |
|---|---|
| SMILES | CC(C)OC1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCOC(C4)(C)C |
Product Overview
1-(2,2-DIMETHYLOXAN-4-YL)-3-HYDROXY-4-[4-(PROPAN-2-YLOXY)PHENYL]-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE (CAS 797015-73-7), with molecular formula C22H29N3O4S and molecular weight 431.19 g/mol. IUPAC: 1-(2,2-dimethyloxan-4-yl)-4-(4-propan-2-yloxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione.
Chemical Property Profile of 1-(2,2-DIMETHYLOXAN-4-YL)-3-HYDROXY-4-[4-(PROPAN-2-YLOXY)PHENYL]-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE
Property Insights of 1-(2,2-DIMETHYLOXAN-4-YL)-3-HYDROXY-4-[4-(PROPAN-2-YLOXY)PHENYL]-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE
The XLogP value of 3.8684 indicates that 1-(2,2-DIMETHYLOXAN-4-YL)-3-HYDROXY-4-[4-(PROPAN-2-YLOXY)PHENYL]-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 85.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,2-DIMETHYLOXAN-4-YL)-3-HYDROXY-4-[4-(PROPAN-2-YLOXY)PHENYL]-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE. Following Lipinski's Rule of Five, 1-(2,2-DIMETHYLOXAN-4-YL)-3-HYDROXY-4-[4-(PROPAN-2-YLOXY)PHENYL]-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE has 2 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 1-(2,2-DIMETHYLOXAN-4-YL)-3-HYDROXY-4-[4-(PROPAN-2-YLOXY)PHENYL]-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE?
The CAS number of 1-(2,2-DIMETHYLOXAN-4-YL)-3-HYDROXY-4-[4-(PROPAN-2-YLOXY)PHENYL]-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE is 797015-73-7.
What is the molecular formula of 1-(2,2-DIMETHYLOXAN-4-YL)-3-HYDROXY-4-[4-(PROPAN-2-YLOXY)PHENYL]-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE?
The molecular formula of 1-(2,2-DIMETHYLOXAN-4-YL)-3-HYDROXY-4-[4-(PROPAN-2-YLOXY)PHENYL]-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE is C22H29N3O4S.
What is the molecular weight of 1-(2,2-DIMETHYLOXAN-4-YL)-3-HYDROXY-4-[4-(PROPAN-2-YLOXY)PHENYL]-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE?
The molecular weight of 1-(2,2-DIMETHYLOXAN-4-YL)-3-HYDROXY-4-[4-(PROPAN-2-YLOXY)PHENYL]-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE is 431.19 g/mol.
Where can I buy 1-(2,2-DIMETHYLOXAN-4-YL)-3-HYDROXY-4-[4-(PROPAN-2-YLOXY)PHENYL]-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE?
You can request a quote for 1-(2,2-DIMETHYLOXAN-4-YL)-3-HYDROXY-4-[4-(PROPAN-2-YLOXY)PHENYL]-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-(2,2-DIMETHYLOXAN-4-YL)-3-HYDROXY-4-[4-(PROPAN-2-YLOXY)PHENYL]-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,2-DIMETHYLOXAN-4-YL)-3-HYDROXY-4-[4-(PROPAN-2-YLOXY)PHENYL]-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.