![3-HYDROXY-4-(4-METHOXYPHENYL)-1-(PENTAN-3-YL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE structure](/static/products/577/577987-00-9.png)
3-HYDROXY-4-(4-METHOXYPHENYL)-1-(PENTAN-3-YL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE
TL;DR: 3-HYDROXY-4-(4-METHOXYPHENYL)-1-(PENTAN-3-YL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE (CAS 577987-00-9) is a chemical compound with molecular formula C18H23N3O3S and molecular weight 361.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methoxyphenyl)-1-pentan-3-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
Also Known As: 3-HYDROXY-4-(4-METHOXYPHENYL)-1-(PENTAN-3-YL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE, 3-hydroxy-4-(4-methoxyphenyl)-1-(pentan-3-yl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one, 4-(4-methoxyphenyl)-1-pentan-3-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione, 7-hydroxy-4-(4-methoxyphenyl)-1-(pentan-3-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
| Molecular Formula | C18H23N3O3S |
|---|---|
| Molecular Weight | 361.15 g/mol |
| LogP | 3.3208 |
| Topological Polar Surface Area | 76.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 361.14603 |
| Heavy Atoms | 25 |
| Complexity | 805.96405 |
Chemical Identifiers
| CAS Number | 577987-00-9 |
|---|---|
| SMILES | CCC(CC)N1C2=C(C(SCC(=O)N2)C3=CC=C(C=C3)OC)C(=O)N1 |
Product Overview
3-HYDROXY-4-(4-METHOXYPHENYL)-1-(PENTAN-3-YL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE (CAS 577987-00-9), with molecular formula C18H23N3O3S and molecular weight 361.15 g/mol. IUPAC: 4-(4-methoxyphenyl)-1-pentan-3-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione.
Chemical Property Profile of 3-HYDROXY-4-(4-METHOXYPHENYL)-1-(PENTAN-3-YL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE
Property Insights of 3-HYDROXY-4-(4-METHOXYPHENYL)-1-(PENTAN-3-YL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE
The XLogP value of 3.3208 indicates that 3-HYDROXY-4-(4-METHOXYPHENYL)-1-(PENTAN-3-YL)-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 76.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-HYDROXY-4-(4-METHOXYPHENYL)-1-(PENTAN-3-YL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE. Following Lipinski's Rule of Five, 3-HYDROXY-4-(4-METHOXYPHENYL)-1-(PENTAN-3-YL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE has 2 hydrogen bond donor(s) and 4 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 3-HYDROXY-4-(4-METHOXYPHENYL)-1-(PENTAN-3-YL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE?
The CAS number of 3-HYDROXY-4-(4-METHOXYPHENYL)-1-(PENTAN-3-YL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE is 577987-00-9.
What is the molecular formula of 3-HYDROXY-4-(4-METHOXYPHENYL)-1-(PENTAN-3-YL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE?
The molecular formula of 3-HYDROXY-4-(4-METHOXYPHENYL)-1-(PENTAN-3-YL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE is C18H23N3O3S.
What is the molecular weight of 3-HYDROXY-4-(4-METHOXYPHENYL)-1-(PENTAN-3-YL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE?
The molecular weight of 3-HYDROXY-4-(4-METHOXYPHENYL)-1-(PENTAN-3-YL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE is 361.15 g/mol.
Where can I buy 3-HYDROXY-4-(4-METHOXYPHENYL)-1-(PENTAN-3-YL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE?
You can request a quote for 3-HYDROXY-4-(4-METHOXYPHENYL)-1-(PENTAN-3-YL)-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 3-HYDROXY-4-(4-METHOXYPHENYL)-1-(PENTAN-3-YL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE?
Yes, KEHONG BIO provides custom synthesis services for 3-HYDROXY-4-(4-METHOXYPHENYL)-1-(PENTAN-3-YL)-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.