![3-hydroxy-1-(pentan-2-yl)-4-(p-tolyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one structure](/static/products/714/714283-14-4.png)
3-hydroxy-1-(pentan-2-yl)-4-(p-tolyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one
TL;DR: 3-hydroxy-1-(pentan-2-yl)-4-(p-tolyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one (CAS 714283-14-4) is a chemical compound with molecular formula C18H23N3O2S and molecular weight 345.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylphenyl)-1-pentan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
Also Known As: 3-hydroxy-1-(pentan-2-yl)-4-(p-tolyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one, 3-HYDROXY-4-(4-METHYLPHENYL)-1-(PENTAN-2-YL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE, 4-(4-methylphenyl)-1-(pentan-2-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7-diol, 4-(4-methylphenyl)-1-(pentan-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7(2H,6H)-dione, 4-(4-methylphenyl)-1-pentan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
| Molecular Formula | C18H23N3O2S |
|---|---|
| Molecular Weight | 345.15 g/mol |
| LogP | 3.62062 |
| Topological Polar Surface Area | 66.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.1511 |
| Heavy Atoms | 24 |
| Complexity | 791.58545 |
Chemical Identifiers
| CAS Number | 714283-14-4 |
|---|---|
| SMILES | CCCC(C)N1C2=C(C(SCC(=O)N2)C3=CC=C(C=C3)C)C(=O)N1 |
Product Overview
3-hydroxy-1-(pentan-2-yl)-4-(p-tolyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one (CAS 714283-14-4), with molecular formula C18H23N3O2S and molecular weight 345.15 g/mol. IUPAC: 4-(4-methylphenyl)-1-pentan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione.
Chemical Property Profile of 3-hydroxy-1-(pentan-2-yl)-4-(p-tolyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one
Property Insights of 3-hydroxy-1-(pentan-2-yl)-4-(p-tolyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one
The XLogP value of 3.62062 indicates that 3-hydroxy-1-(pentan-2-yl)-4-(p-tolyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-hydroxy-1-(pentan-2-yl)-4-(p-tolyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one. Following Lipinski's Rule of Five, 3-hydroxy-1-(pentan-2-yl)-4-(p-tolyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one has 2 hydrogen bond donor(s) and 3 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-(pentan-2-yl)-4-(p-tolyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one?
The CAS number of 3-hydroxy-1-(pentan-2-yl)-4-(p-tolyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one is 714283-14-4.
What is the molecular formula of 3-hydroxy-1-(pentan-2-yl)-4-(p-tolyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one?
The molecular formula of 3-hydroxy-1-(pentan-2-yl)-4-(p-tolyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one is C18H23N3O2S.
What is the molecular weight of 3-hydroxy-1-(pentan-2-yl)-4-(p-tolyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one?
The molecular weight of 3-hydroxy-1-(pentan-2-yl)-4-(p-tolyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one is 345.15 g/mol.
Where can I buy 3-hydroxy-1-(pentan-2-yl)-4-(p-tolyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one?
You can request a quote for 3-hydroxy-1-(pentan-2-yl)-4-(p-tolyl)-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-(pentan-2-yl)-4-(p-tolyl)-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-(pentan-2-yl)-4-(p-tolyl)-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.