![3,4-diaza-5-(tert-butyl)-2-hydroxy-3-((4-methylphenyl)sulfonyl)tricyclo[6.4.0.0<2,6>]dodeca-1(8),4,9,11-tetraen-7-one structure](/static/products/1022/1022891-79-7.webp)
3,4-diaza-5-(tert-butyl)-2-hydroxy-3-((4-methylphenyl)sulfonyl)tricyclo[6.4.0.0<2,6>]dodeca-1(8),4,9,11-tetraen-7-one
TL;DR: 3,4-diaza-5-(tert-butyl)-2-hydroxy-3-((4-methylphenyl)sulfonyl)tricyclo[6.4.0.0<2,6>]dodeca-1(8),4,9,11-tetraen-7-one (CAS 1022891-79-7) is a chemical compound with molecular formula C21H22N2O4S and molecular weight 398.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butyl-8b-hydroxy-1-(4-methylphenyl)sulfonyl-3aH-indeno[1,2-c]pyrazol-4-one
Also Known As: 3,4-diaza-5-(tert-butyl)-2-hydroxy-3-((4-methylphenyl)sulfonyl)tricyclo[6.4.0.0<2,6>]dodeca-1(8),4,9,11-tetraen-7-one, 3-tert-butyl-8b-hydroxy-1-(4-methylphenyl)sulfonyl-3aH-indeno[1,2-c]pyrazol-4-one, 3-tert-butyl-8b-hydroxy-1-(4-methylbenzenesulfonyl)-1H,3aH,4H,8bH-indeno[1,2-c]pyrazol-4-one, 3-(tert-butyl)-8b-hydroxy-1-[(4-methylphenyl)sulfonyl]indano[2,1-d]2-pyrazolin -4-one, 3-TERT-BUTYL-8B-HYDROXY-1-(4-METHYLBENZENESULFONYL)-3AH-INDENO[1,2-C]PYRAZOL-4-ONE
| Molecular Formula | C21H22N2O4S |
|---|---|
| Molecular Weight | 398.13 g/mol |
| LogP | 3.05922 |
| Topological Polar Surface Area | 87.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 398.13004 |
| Heavy Atoms | 28 |
| Complexity | 1113.8397 |
Chemical Identifiers
| CAS Number | 1022891-79-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2C3(C(C(=O)C4=CC=CC=C43)C(=N2)C(C)(C)C)O |
Product Overview
3,4-diaza-5-(tert-butyl)-2-hydroxy-3-((4-methylphenyl)sulfonyl)tricyclo[6.4.0.0<2,6>]dodeca-1(8),4,9,11-tetraen-7-one (CAS 1022891-79-7), with molecular formula C21H22N2O4S and molecular weight 398.13 g/mol. IUPAC: 3-tert-butyl-8b-hydroxy-1-(4-methylphenyl)sulfonyl-3aH-indeno[1,2-c]pyrazol-4-one.
Chemical Property Profile of 3,4-diaza-5-(tert-butyl)-2-hydroxy-3-((4-methylphenyl)sulfonyl)tricyclo[6.4.0.0<2,6>]dodeca-1(8),4,9,11-tetraen-7-one
Property Insights of 3,4-diaza-5-(tert-butyl)-2-hydroxy-3-((4-methylphenyl)sulfonyl)tricyclo[6.4.0.0<2,6>]dodeca-1(8),4,9,11-tetraen-7-one
The XLogP value of 3.05922 indicates that 3,4-diaza-5-(tert-butyl)-2-hydroxy-3-((4-methylphenyl)sulfonyl)tricyclo[6.4.0.0<2,6>]dodeca-1(8),4,9,11-tetraen-7-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-diaza-5-(tert-butyl)-2-hydroxy-3-((4-methylphenyl)sulfonyl)tricyclo[6.4.0.0<2,6>]dodeca-1(8),4,9,11-tetraen-7-one. Following Lipinski's Rule of Five, 3,4-diaza-5-(tert-butyl)-2-hydroxy-3-((4-methylphenyl)sulfonyl)tricyclo[6.4.0.0<2,6>]dodeca-1(8),4,9,11-tetraen-7-one has 1 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 3,4-diaza-5-(tert-butyl)-2-hydroxy-3-((4-methylphenyl)sulfonyl)tricyclo[6.4.0.0<2,6>]dodeca-1(8),4,9,11-tetraen-7-one?
The CAS number of 3,4-diaza-5-(tert-butyl)-2-hydroxy-3-((4-methylphenyl)sulfonyl)tricyclo[6.4.0.0<2,6>]dodeca-1(8),4,9,11-tetraen-7-one is 1022891-79-7.
What is the molecular formula of 3,4-diaza-5-(tert-butyl)-2-hydroxy-3-((4-methylphenyl)sulfonyl)tricyclo[6.4.0.0<2,6>]dodeca-1(8),4,9,11-tetraen-7-one?
The molecular formula of 3,4-diaza-5-(tert-butyl)-2-hydroxy-3-((4-methylphenyl)sulfonyl)tricyclo[6.4.0.0<2,6>]dodeca-1(8),4,9,11-tetraen-7-one is C21H22N2O4S.
What is the molecular weight of 3,4-diaza-5-(tert-butyl)-2-hydroxy-3-((4-methylphenyl)sulfonyl)tricyclo[6.4.0.0<2,6>]dodeca-1(8),4,9,11-tetraen-7-one?
The molecular weight of 3,4-diaza-5-(tert-butyl)-2-hydroxy-3-((4-methylphenyl)sulfonyl)tricyclo[6.4.0.0<2,6>]dodeca-1(8),4,9,11-tetraen-7-one is 398.13 g/mol.
Where can I buy 3,4-diaza-5-(tert-butyl)-2-hydroxy-3-((4-methylphenyl)sulfonyl)tricyclo[6.4.0.0<2,6>]dodeca-1(8),4,9,11-tetraen-7-one?
You can request a quote for 3,4-diaza-5-(tert-butyl)-2-hydroxy-3-((4-methylphenyl)sulfonyl)tricyclo[6.4.0.0<2,6>]dodeca-1(8),4,9,11-tetraen-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-diaza-5-(tert-butyl)-2-hydroxy-3-((4-methylphenyl)sulfonyl)tricyclo[6.4.0.0<2,6>]dodeca-1(8),4,9,11-tetraen-7-one?
Yes, KEHONG BIO provides custom synthesis services for 3,4-diaza-5-(tert-butyl)-2-hydroxy-3-((4-methylphenyl)sulfonyl)tricyclo[6.4.0.0<2,6>]dodeca-1(8),4,9,11-tetraen-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.