![4-(4-chlorophenyl)-1-cyclohexyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one structure](/static/products/713/713089-35-1.png)
4-(4-chlorophenyl)-1-cyclohexyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one
TL;DR: 4-(4-chlorophenyl)-1-cyclohexyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one (CAS 713089-35-1) is a chemical compound with molecular formula C18H20ClN3OS and molecular weight 361.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-1-cyclohexyl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
Also Known As: 4-(4-chlorophenyl)-1-cyclohexyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one, 4-(4-chlorophenyl)-1-cyclohexyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol, 4-(4-chlorophenyl)-1-cyclohexyl-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one
| Molecular Formula | C18H20ClN3OS |
|---|---|
| Molecular Weight | 361.10 g/mol |
| LogP | 4.8164 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 361.10156 |
| Heavy Atoms | 24 |
| Complexity | 737.22217 |
Chemical Identifiers
| CAS Number | 713089-35-1 |
|---|---|
| SMILES | C1CCC(CC1)N2C3=C(C=N2)C(SCC(=O)N3)C4=CC=C(C=C4)Cl |
Product Overview
4-(4-chlorophenyl)-1-cyclohexyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one (CAS 713089-35-1), with molecular formula C18H20ClN3OS and molecular weight 361.10 g/mol. IUPAC: 4-(4-chlorophenyl)-1-cyclohexyl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one.
Chemical Property Profile of 4-(4-chlorophenyl)-1-cyclohexyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one
Property Insights of 4-(4-chlorophenyl)-1-cyclohexyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one
The XLogP value of 4.8164 indicates that 4-(4-chlorophenyl)-1-cyclohexyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.92 Ų, 4-(4-chlorophenyl)-1-cyclohexyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-chlorophenyl)-1-cyclohexyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one has 1 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 4-(4-chlorophenyl)-1-cyclohexyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one?
The CAS number of 4-(4-chlorophenyl)-1-cyclohexyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one is 713089-35-1.
What is the molecular formula of 4-(4-chlorophenyl)-1-cyclohexyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one?
The molecular formula of 4-(4-chlorophenyl)-1-cyclohexyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one is C18H20ClN3OS.
What is the molecular weight of 4-(4-chlorophenyl)-1-cyclohexyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one?
The molecular weight of 4-(4-chlorophenyl)-1-cyclohexyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one is 361.10 g/mol.
Where can I buy 4-(4-chlorophenyl)-1-cyclohexyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one?
You can request a quote for 4-(4-chlorophenyl)-1-cyclohexyl-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 4-(4-chlorophenyl)-1-cyclohexyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-chlorophenyl)-1-cyclohexyl-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.