![1-cyclohexyl-3-methyl-4-(4-propan-2-yloxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one structure](/static/products/714/714235-99-1.png)
1-cyclohexyl-3-methyl-4-(4-propan-2-yloxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one
TL;DR: 1-cyclohexyl-3-methyl-4-(4-propan-2-yloxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one (CAS 714235-99-1) is a chemical compound with molecular formula C22H29N3O2S and molecular weight 399.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclohexyl-3-methyl-4-(4-propan-2-yloxyphenyl)-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
Also Known As: 1-cyclohexyl-3-methyl-4-(4-propan-2-yloxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one, 1-cyclohexyl-3-methyl-4-[4-(propan-2-yloxy)phenyl]-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol, 1-cyclohexyl-4-(4-isopropoxyphenyl)-3-methyl-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one
| Molecular Formula | C22H29N3O2S |
|---|---|
| Molecular Weight | 399.20 g/mol |
| LogP | 5.25862 |
| Topological Polar Surface Area | 56.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.19806 |
| Heavy Atoms | 28 |
| Complexity | 838.2119 |
Chemical Identifiers
| CAS Number | 714235-99-1 |
|---|---|
| SMILES | CC1=NN(C2=C1C(SCC(=O)N2)C3=CC=C(C=C3)OC(C)C)C4CCCCC4 |
Product Overview
1-cyclohexyl-3-methyl-4-(4-propan-2-yloxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one (CAS 714235-99-1), with molecular formula C22H29N3O2S and molecular weight 399.20 g/mol. IUPAC: 1-cyclohexyl-3-methyl-4-(4-propan-2-yloxyphenyl)-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one.
Chemical Property Profile of 1-cyclohexyl-3-methyl-4-(4-propan-2-yloxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one
Property Insights of 1-cyclohexyl-3-methyl-4-(4-propan-2-yloxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one
The XLogP value of 5.25862 indicates that 1-cyclohexyl-3-methyl-4-(4-propan-2-yloxyphenyl)-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 56.15 Ų, 1-cyclohexyl-3-methyl-4-(4-propan-2-yloxyphenyl)-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, 1-cyclohexyl-3-methyl-4-(4-propan-2-yloxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-cyclohexyl-3-methyl-4-(4-propan-2-yloxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one?
The CAS number of 1-cyclohexyl-3-methyl-4-(4-propan-2-yloxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one is 714235-99-1.
What is the molecular formula of 1-cyclohexyl-3-methyl-4-(4-propan-2-yloxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one?
The molecular formula of 1-cyclohexyl-3-methyl-4-(4-propan-2-yloxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one is C22H29N3O2S.
What is the molecular weight of 1-cyclohexyl-3-methyl-4-(4-propan-2-yloxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one?
The molecular weight of 1-cyclohexyl-3-methyl-4-(4-propan-2-yloxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one is 399.20 g/mol.
Where can I buy 1-cyclohexyl-3-methyl-4-(4-propan-2-yloxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one?
You can request a quote for 1-cyclohexyl-3-methyl-4-(4-propan-2-yloxyphenyl)-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-(4-propan-2-yloxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one?
Yes, KEHONG BIO provides custom synthesis services for 1-cyclohexyl-3-methyl-4-(4-propan-2-yloxyphenyl)-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.