![3-methyl-1-(4-methylphenyl)-4-(4-nitrophenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one structure](/static/products/714/714240-22-9.png)
3-methyl-1-(4-methylphenyl)-4-(4-nitrophenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one
TL;DR: 3-methyl-1-(4-methylphenyl)-4-(4-nitrophenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one (CAS 714240-22-9) is a chemical compound with molecular formula C20H18N4O3S and molecular weight 394.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-(4-methylphenyl)-4-(4-nitrophenyl)-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
Also Known As: 3-methyl-1-(4-methylphenyl)-4-(4-nitrophenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one, 3-methyl-1-(4-methylphenyl)-4-(4-nitrophenyl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol, 3-methyl-4-(4-nitrophenyl)-1-(p-tolyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one
| Molecular Formula | C20H18N4O3S |
|---|---|
| Molecular Weight | 394.11 g/mol |
| LogP | 4.17204 |
| Topological Polar Surface Area | 90.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 394.10995 |
| Heavy Atoms | 28 |
| Complexity | 1058.3049 |
Chemical Identifiers
| CAS Number | 714240-22-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C3=C(C(SCC(=O)N3)C4=CC=C(C=C4)[N+](=O)[O-])C(=N2)C |
Product Overview
3-methyl-1-(4-methylphenyl)-4-(4-nitrophenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one (CAS 714240-22-9), with molecular formula C20H18N4O3S and molecular weight 394.11 g/mol. IUPAC: 3-methyl-1-(4-methylphenyl)-4-(4-nitrophenyl)-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one.
Chemical Property Profile of 3-methyl-1-(4-methylphenyl)-4-(4-nitrophenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one
Property Insights of 3-methyl-1-(4-methylphenyl)-4-(4-nitrophenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one
The XLogP value of 4.17204 indicates that 3-methyl-1-(4-methylphenyl)-4-(4-nitrophenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-1-(4-methylphenyl)-4-(4-nitrophenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one. Following Lipinski's Rule of Five, 3-methyl-1-(4-methylphenyl)-4-(4-nitrophenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one has 1 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 3-methyl-1-(4-methylphenyl)-4-(4-nitrophenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one?
The CAS number of 3-methyl-1-(4-methylphenyl)-4-(4-nitrophenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one is 714240-22-9.
What is the molecular formula of 3-methyl-1-(4-methylphenyl)-4-(4-nitrophenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one?
The molecular formula of 3-methyl-1-(4-methylphenyl)-4-(4-nitrophenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one is C20H18N4O3S.
What is the molecular weight of 3-methyl-1-(4-methylphenyl)-4-(4-nitrophenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one?
The molecular weight of 3-methyl-1-(4-methylphenyl)-4-(4-nitrophenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one is 394.11 g/mol.
Where can I buy 3-methyl-1-(4-methylphenyl)-4-(4-nitrophenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one?
You can request a quote for 3-methyl-1-(4-methylphenyl)-4-(4-nitrophenyl)-2,4-dihydropyrazolo[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-methyl-1-(4-methylphenyl)-4-(4-nitrophenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-1-(4-methylphenyl)-4-(4-nitrophenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.