![3-methyl-1-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one structure](/static/products/714/714233-67-7.png)
3-methyl-1-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one
TL;DR: 3-methyl-1-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one (CAS 714233-67-7) is a chemical compound with molecular formula C27H25N3O2S and molecular weight 455.17 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-phenylmethoxyphenyl)-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
Also Known As: 3-methyl-1-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one, 4-(4-(benzyloxy)phenyl)-3-methyl-1-(p-tolyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one, 4-[4-(benzyloxy)phenyl]-3-methyl-1-(4-methylphenyl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
| Molecular Formula | C27H25N3O2S |
|---|---|
| Molecular Weight | 455.17 g/mol |
| LogP | 5.84284 |
| Topological Polar Surface Area | 56.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.16675 |
| Heavy Atoms | 33 |
| Complexity | 1265.4817 |
Chemical Identifiers
| CAS Number | 714233-67-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C3=C(C(SCC(=O)N3)C4=CC=C(C=C4)OCC5=CC=CC=C5)C(=N2)C |
Product Overview
3-methyl-1-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one (CAS 714233-67-7), with molecular formula C27H25N3O2S and molecular weight 455.17 g/mol. IUPAC: 3-methyl-1-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one.
Chemical Property Profile of 3-methyl-1-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one
Property Insights of 3-methyl-1-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one
The XLogP value of 5.84284 indicates that 3-methyl-1-(4-methylphenyl)-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, 3-methyl-1-(4-methylphenyl)-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, 3-methyl-1-(4-methylphenyl)-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 3-methyl-1-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one?
The CAS number of 3-methyl-1-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one is 714233-67-7.
What is the molecular formula of 3-methyl-1-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one?
The molecular formula of 3-methyl-1-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one is C27H25N3O2S.
What is the molecular weight of 3-methyl-1-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one?
The molecular weight of 3-methyl-1-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one is 455.17 g/mol.
Where can I buy 3-methyl-1-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one?
You can request a quote for 3-methyl-1-(4-methylphenyl)-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 3-methyl-1-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)-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-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.