![1-(2,2-dimethyloxan-4-yl)-3-methyl-4-(4-phenylmethoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one structure](/static/products/716/716340-86-2.png)
1-(2,2-dimethyloxan-4-yl)-3-methyl-4-(4-phenylmethoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one
TL;DR: 1-(2,2-dimethyloxan-4-yl)-3-methyl-4-(4-phenylmethoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one (CAS 716340-86-2) is a chemical compound with molecular formula C27H31N3O3S and molecular weight 477.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,2-dimethyloxan-4-yl)-3-methyl-4-(4-phenylmethoxyphenyl)-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
Also Known As: 1-(2,2-dimethyloxan-4-yl)-3-methyl-4-(4-phenylmethoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one, 4-(4-(benzyloxy)phenyl)-1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-methyl-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one, 4-[4-(BENZYLOXY)PHENYL]-1-(2,2-DIMETHYLOXAN-4-YL)-3-METHYL-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE, 4-[4-(benzyloxy)phenyl]-1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-methyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
| Molecular Formula | C27H31N3O3S |
|---|---|
| Molecular Weight | 477.21 g/mol |
| LogP | 5.67532 |
| Topological Polar Surface Area | 65.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 477.20862 |
| Heavy Atoms | 34 |
| Complexity | 1157.8684 |
Chemical Identifiers
| CAS Number | 716340-86-2 |
|---|---|
| SMILES | CC1=NN(C2=C1C(SCC(=O)N2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C5CCOC(C5)(C)C |
Product Overview
1-(2,2-dimethyloxan-4-yl)-3-methyl-4-(4-phenylmethoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one (CAS 716340-86-2), with molecular formula C27H31N3O3S and molecular weight 477.21 g/mol. IUPAC: 1-(2,2-dimethyloxan-4-yl)-3-methyl-4-(4-phenylmethoxyphenyl)-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one.
Chemical Property Profile of 1-(2,2-dimethyloxan-4-yl)-3-methyl-4-(4-phenylmethoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one
Property Insights of 1-(2,2-dimethyloxan-4-yl)-3-methyl-4-(4-phenylmethoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one
The XLogP value of 5.67532 indicates that 1-(2,2-dimethyloxan-4-yl)-3-methyl-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. The TPSA of 65.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,2-dimethyloxan-4-yl)-3-methyl-4-(4-phenylmethoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one. Following Lipinski's Rule of Five, 1-(2,2-dimethyloxan-4-yl)-3-methyl-4-(4-phenylmethoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(2,2-dimethyloxan-4-yl)-3-methyl-4-(4-phenylmethoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one?
The CAS number of 1-(2,2-dimethyloxan-4-yl)-3-methyl-4-(4-phenylmethoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one is 716340-86-2.
What is the molecular formula of 1-(2,2-dimethyloxan-4-yl)-3-methyl-4-(4-phenylmethoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one?
The molecular formula of 1-(2,2-dimethyloxan-4-yl)-3-methyl-4-(4-phenylmethoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one is C27H31N3O3S.
What is the molecular weight of 1-(2,2-dimethyloxan-4-yl)-3-methyl-4-(4-phenylmethoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one?
The molecular weight of 1-(2,2-dimethyloxan-4-yl)-3-methyl-4-(4-phenylmethoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one is 477.21 g/mol.
Where can I buy 1-(2,2-dimethyloxan-4-yl)-3-methyl-4-(4-phenylmethoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one?
You can request a quote for 1-(2,2-dimethyloxan-4-yl)-3-methyl-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-(2,2-dimethyloxan-4-yl)-3-methyl-4-(4-phenylmethoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,2-dimethyloxan-4-yl)-3-methyl-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.