![1-(4-methylphenyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one structure](/static/products/714/714238-39-8.png)
1-(4-methylphenyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one
TL;DR: 1-(4-methylphenyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one (CAS 714238-39-8) is a chemical compound with molecular formula C32H27N3O2S and molecular weight 517.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylphenyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
Also Known As: 1-(4-methylphenyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one, 4-(4-(benzyloxy)phenyl)-3-phenyl-1-(p-tolyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one, 4-[4-(benzyloxy)phenyl]-1-(4-methylphenyl)-3-phenyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
| Molecular Formula | C32H27N3O2S |
|---|---|
| Molecular Weight | 517.18 g/mol |
| LogP | 7.20142 |
| Topological Polar Surface Area | 56.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 517.1824 |
| Heavy Atoms | 38 |
| Complexity | 1546.9098 |
Chemical Identifiers
| CAS Number | 714238-39-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C3=C(C(SCC(=O)N3)C4=CC=C(C=C4)OCC5=CC=CC=C5)C(=N2)C6=CC=CC=C6 |
Product Overview
1-(4-methylphenyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one (CAS 714238-39-8), with molecular formula C32H27N3O2S and molecular weight 517.18 g/mol. IUPAC: 1-(4-methylphenyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one.
Chemical Property Profile of 1-(4-methylphenyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one
Property Insights of 1-(4-methylphenyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one
The XLogP value of 7.20142 indicates that 1-(4-methylphenyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-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-(4-methylphenyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-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-(4-methylphenyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-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-(4-methylphenyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one?
The CAS number of 1-(4-methylphenyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one is 714238-39-8.
What is the molecular formula of 1-(4-methylphenyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one?
The molecular formula of 1-(4-methylphenyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one is C32H27N3O2S.
What is the molecular weight of 1-(4-methylphenyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one?
The molecular weight of 1-(4-methylphenyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one is 517.18 g/mol.
Where can I buy 1-(4-methylphenyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one?
You can request a quote for 1-(4-methylphenyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-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-(4-methylphenyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-methylphenyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-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.