![1-cyclohexyl-3-methyl-4-(3-nitrophenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one structure](/static/products/713/713088-75-6.png)
1-cyclohexyl-3-methyl-4-(3-nitrophenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one
TL;DR: 1-cyclohexyl-3-methyl-4-(3-nitrophenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one (CAS 713088-75-6) is a chemical compound with molecular formula C19H22N4O3S and molecular weight 386.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclohexyl-3-methyl-4-(3-nitrophenyl)-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
Also Known As: 1-cyclohexyl-3-methyl-4-(3-nitrophenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one, 1-cyclohexyl-3-methyl-4-(3-nitrophenyl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol, 1-cyclohexyl-3-methyl-4-(3-nitrophenyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one, 10-cyclohexyl-8-methyl-6-(3-nitrophenyl)-5-thia-2,9,10-triazabicyclo[5.3.0]deca-1,7-dien-3-one
| Molecular Formula | C19H22N4O3S |
|---|---|
| Molecular Weight | 386.14 g/mol |
| LogP | 4.37962 |
| Topological Polar Surface Area | 90.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 386.14127 |
| Heavy Atoms | 27 |
| Complexity | 889.0751 |
Chemical Identifiers
| CAS Number | 713088-75-6 |
|---|---|
| SMILES | CC1=NN(C2=C1C(SCC(=O)N2)C3=CC(=CC=C3)[N+](=O)[O-])C4CCCCC4 |
Product Overview
1-cyclohexyl-3-methyl-4-(3-nitrophenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one (CAS 713088-75-6), with molecular formula C19H22N4O3S and molecular weight 386.14 g/mol. IUPAC: 1-cyclohexyl-3-methyl-4-(3-nitrophenyl)-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one.
Chemical Property Profile of 1-cyclohexyl-3-methyl-4-(3-nitrophenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one
Property Insights of 1-cyclohexyl-3-methyl-4-(3-nitrophenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one
The XLogP value of 4.37962 indicates that 1-cyclohexyl-3-methyl-4-(3-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 1-cyclohexyl-3-methyl-4-(3-nitrophenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one. Following Lipinski's Rule of Five, 1-cyclohexyl-3-methyl-4-(3-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 1-cyclohexyl-3-methyl-4-(3-nitrophenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one?
The CAS number of 1-cyclohexyl-3-methyl-4-(3-nitrophenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one is 713088-75-6.
What is the molecular formula of 1-cyclohexyl-3-methyl-4-(3-nitrophenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one?
The molecular formula of 1-cyclohexyl-3-methyl-4-(3-nitrophenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one is C19H22N4O3S.
What is the molecular weight of 1-cyclohexyl-3-methyl-4-(3-nitrophenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one?
The molecular weight of 1-cyclohexyl-3-methyl-4-(3-nitrophenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one is 386.14 g/mol.
Where can I buy 1-cyclohexyl-3-methyl-4-(3-nitrophenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one?
You can request a quote for 1-cyclohexyl-3-methyl-4-(3-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 1-cyclohexyl-3-methyl-4-(3-nitrophenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one?
Yes, KEHONG BIO provides custom synthesis services for 1-cyclohexyl-3-methyl-4-(3-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.