![3-hydroxy-1-isopropyl-4-(4-methoxyphenyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one structure](/static/products/714/714933-87-6.png)
3-hydroxy-1-isopropyl-4-(4-methoxyphenyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one
TL;DR: 3-hydroxy-1-isopropyl-4-(4-methoxyphenyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one (CAS 714933-87-6) is a chemical compound with molecular formula C16H19N3O3S and molecular weight 333.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methoxyphenyl)-1-propan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
Also Known As: 3-hydroxy-1-isopropyl-4-(4-methoxyphenyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one, 4-(4-methoxyphenyl)-1-(propan-2-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7-diol, 4-(4-methoxyphenyl)-1-(propan-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7(2H,6H)-dione, 4-(4-methoxyphenyl)-1-propan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione, 7-hydroxy-4-(4-methoxyphenyl)-1-(propan-2-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
| Molecular Formula | C16H19N3O3S |
|---|---|
| Molecular Weight | 333.11 g/mol |
| LogP | 2.5406 |
| Topological Polar Surface Area | 76.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.11472 |
| Heavy Atoms | 23 |
| Complexity | 776.8584 |
Chemical Identifiers
| CAS Number | 714933-87-6 |
|---|---|
| SMILES | CC(C)N1C2=C(C(SCC(=O)N2)C3=CC=C(C=C3)OC)C(=O)N1 |
Product Overview
3-hydroxy-1-isopropyl-4-(4-methoxyphenyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one (CAS 714933-87-6), with molecular formula C16H19N3O3S and molecular weight 333.11 g/mol. IUPAC: 4-(4-methoxyphenyl)-1-propan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione.
Chemical Property Profile of 3-hydroxy-1-isopropyl-4-(4-methoxyphenyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one
Property Insights of 3-hydroxy-1-isopropyl-4-(4-methoxyphenyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one
The XLogP value of 2.5406 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-hydroxy-1-isopropyl-4-(4-methoxyphenyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one. The TPSA of 76.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-hydroxy-1-isopropyl-4-(4-methoxyphenyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one. Following Lipinski's Rule of Five, 3-hydroxy-1-isopropyl-4-(4-methoxyphenyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-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-1-isopropyl-4-(4-methoxyphenyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one?
The CAS number of 3-hydroxy-1-isopropyl-4-(4-methoxyphenyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one is 714933-87-6.
What is the molecular formula of 3-hydroxy-1-isopropyl-4-(4-methoxyphenyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one?
The molecular formula of 3-hydroxy-1-isopropyl-4-(4-methoxyphenyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one is C16H19N3O3S.
What is the molecular weight of 3-hydroxy-1-isopropyl-4-(4-methoxyphenyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one?
The molecular weight of 3-hydroxy-1-isopropyl-4-(4-methoxyphenyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one is 333.11 g/mol.
Where can I buy 3-hydroxy-1-isopropyl-4-(4-methoxyphenyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one?
You can request a quote for 3-hydroxy-1-isopropyl-4-(4-methoxyphenyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-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-1-isopropyl-4-(4-methoxyphenyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-hydroxy-1-isopropyl-4-(4-methoxyphenyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.