5,9-Dehb
TL;DR: 5,9-Dehb (CAS 70833-53-3) is a chemical compound with molecular formula C18H18N6O4S and molecular weight 414.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-ethylsulfonyl-2-nitrophenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-imine
Also Known As: 5,9-Dehb, 5,9 alpha-Diethyl-2'-hydroxybenzomorphan, (-)-5,9alpha-Diethyl-2'-hydroxybenzomorphan, 3H-Pyrazol-3-imine, 4-((4-(ethylsulfonyl)-2-nitrophenyl)azo)-2,4-dihydro-5-methyl-2-phenyl-, (3e)-4-{(e)-[4-(ethylsulfonyl)-2-nitrophenyl]diazenyl}-5-methyl-2-phenyl-2,4-dihydro-3h-pyrazol-3-imine
| Molecular Formula | C18H18N6O4S |
|---|---|
| Molecular Weight | 414.11 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 153.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.11102 |
| Heavy Atoms | 29 |
| Complexity | 794.0 |
Chemical Identifiers
| CAS Number | 70833-53-3 |
|---|---|
| SMILES | CCS(=O)(=O)C1=CC(=C(C=C1)N=NC2C(=NN(C2=N)C3=CC=CC=C3)C)[N+](=O)[O-] |
| InChIKey | GDZJKHUIWOTFPS-UHFFFAOYSA-N |
Product Overview
5,9-Dehb (CAS 70833-53-3), with molecular formula C18H18N6O4S and molecular weight 414.11 g/mol. IUPAC: 4-[(4-ethylsulfonyl-2-nitrophenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-imine.
Chemical Property Profile of 5,9-Dehb
Property Insights of 5,9-Dehb
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,9-Dehb. The TPSA of 153.0 Ų indicates high polarity, suggesting 5,9-Dehb may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5,9-Dehb has 1 hydrogen bond donor(s) and 8 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 5,9-Dehb?
The CAS number of 5,9-Dehb is 70833-53-3.
What is the molecular formula of 5,9-Dehb?
The molecular formula of 5,9-Dehb is C18H18N6O4S.
What is the molecular weight of 5,9-Dehb?
The molecular weight of 5,9-Dehb is 414.11 g/mol.
Where can I buy 5,9-Dehb?
You can request a quote for 5,9-Dehb directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,9-Dehb?
Yes, KEHONG BIO provides custom synthesis services for 5,9-Dehb and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.