![1-cyclohexyl-4-(4-methoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione structure](/static/products/797/797764-14-8.png)
1-cyclohexyl-4-(4-methoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
TL;DR: 1-cyclohexyl-4-(4-methoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione (CAS 797764-14-8) is a chemical compound with molecular formula C19H23N3O3S and molecular weight 373.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclohexyl-4-(4-methoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
Also Known As: 1-cyclohexyl-4-(4-methoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione, 1-cyclohexyl-3-hydroxy-4-(4-methoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 1-cyclohexyl-3-hydroxy-4-(4-methoxyphenyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one, 1-cyclohexyl-4-(4-methoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7(2H,6H)-dione, 1-cyclohexyl-7-hydroxy-4-(4-methoxyphenyl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
| Molecular Formula | C19H23N3O3S |
|---|---|
| Molecular Weight | 373.15 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 96.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 373.14603 |
| Heavy Atoms | 26 |
| Complexity | 595.0 |
Chemical Identifiers
| CAS Number | 797764-14-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCCCC4 |
| InChIKey | CUFUDVXHXJSFGT-UHFFFAOYSA-N |
Product Overview
1-cyclohexyl-4-(4-methoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione (CAS 797764-14-8), with molecular formula C19H23N3O3S and molecular weight 373.15 g/mol. IUPAC: 1-cyclohexyl-4-(4-methoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione.
Chemical Property Profile of 1-cyclohexyl-4-(4-methoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
Property Insights of 1-cyclohexyl-4-(4-methoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
The XLogP value of 3.0 indicates that 1-cyclohexyl-4-(4-methoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-cyclohexyl-4-(4-methoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione. Following Lipinski's Rule of Five, 1-cyclohexyl-4-(4-methoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione has 2 hydrogen bond donor(s) and 5 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 1-cyclohexyl-4-(4-methoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione?
The CAS number of 1-cyclohexyl-4-(4-methoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione is 797764-14-8.
What is the molecular formula of 1-cyclohexyl-4-(4-methoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione?
The molecular formula of 1-cyclohexyl-4-(4-methoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione is C19H23N3O3S.
What is the molecular weight of 1-cyclohexyl-4-(4-methoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione?
The molecular weight of 1-cyclohexyl-4-(4-methoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione is 373.15 g/mol.
Where can I buy 1-cyclohexyl-4-(4-methoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione?
You can request a quote for 1-cyclohexyl-4-(4-methoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-cyclohexyl-4-(4-methoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-cyclohexyl-4-(4-methoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.