RefChem:505769
TL;DR: RefChem:505769 (CAS 70528-91-5) is a chemical compound with molecular formula C17H16N6O4S and molecular weight 400.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-4-[(4-methylsulfonyl-2-nitrophenyl)diazenyl]-2-phenyl-4H-pyrazol-3-imine
Also Known As: 3H-Pyrazol-3-imine, 2,4-dihydro-5-methyl-4-((4-(methylsulfonyl)-2-nitrophenyl)azo)-2-phenyl-, 3H-Pyrazol-3-imine, 2,4-dihydro-5-methyl-4-[[4-(methylsulfonyl)-2-nitrophenyl]azo]-2-phenyl-, 2,4-Dihydro-5-methyl-4-((4-(methylsulfonyl)-2-nitrophenyl)azo)-2-phenyl-3H-pyrazol-3-imine, 2,4-DIHYDRO-5-METHYL-4-[[4-(METHYLSULFONYL)-2-NITROPHENYL]AZO]-2-PHENYL-3H-PYRAZOL-3-IMINE, 3H-Pyrazol-3-imine, 2,4-dihydro-5-methyl-4-(2-(4-(methylsulfonyl)-2-nitrophenyl)diazenyl)-2-phenyl-
| Molecular Formula | C17H16N6O4S |
|---|---|
| Molecular Weight | 400.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 153.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.09537 |
| Heavy Atoms | 28 |
| Complexity | 778.0 |
Chemical Identifiers
| CAS Number | 70528-91-5 |
|---|---|
| SMILES | CC1=NN(C(=N)C1N=NC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C3=CC=CC=C3 |
| InChIKey | GHPLSOVHHRFMFR-UHFFFAOYSA-N |
Product Overview
RefChem:505769 (CAS 70528-91-5), with molecular formula C17H16N6O4S and molecular weight 400.10 g/mol. IUPAC: 5-methyl-4-[(4-methylsulfonyl-2-nitrophenyl)diazenyl]-2-phenyl-4H-pyrazol-3-imine.
Chemical Property Profile of RefChem:505769
Property Insights of RefChem:505769
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:505769. The TPSA of 153.0 Ų indicates high polarity, suggesting RefChem:505769 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:505769 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 RefChem:505769?
The CAS number of RefChem:505769 is 70528-91-5.
What is the molecular formula of RefChem:505769?
The molecular formula of RefChem:505769 is C17H16N6O4S.
What is the molecular weight of RefChem:505769?
The molecular weight of RefChem:505769 is 400.10 g/mol.
Where can I buy RefChem:505769?
You can request a quote for RefChem:505769 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:505769?
Yes, KEHONG BIO provides custom synthesis services for RefChem:505769 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.