RefChem:287794
TL;DR: RefChem:287794 (CAS 83784-13-8) is a chemical compound with molecular formula C16H12ClN5O7S and molecular weight 453.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[(3-chloro-2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid
Also Known As: 4-(4-((3-Chloro-2-hydroxy-5-nitrophenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid, 4-[4-[2-(3-Chloro-2-hydroxy-5-nitrophenyl)diazenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid, Benzenesulfonic acid, 4-(4-((3-chloro-2-hydroxy-5-nitrophenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, 4-(4-(2-(3-Chloro-2-hydroxy-5-nitrophenyl)diazenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulfonic acid, 4-[[4-[(3-Chloro-2-hydroxy-5-nitrophenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol]-1-yl]benzenesulfonic acid
| Molecular Formula | C16H12ClN5O7S |
|---|---|
| Molecular Weight | 453.01 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 186.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 453.0146 |
| Heavy Atoms | 30 |
| Complexity | 847.0 |
Chemical Identifiers
| CAS Number | 83784-13-8 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=C(C(=CC(=C2)[N+](=O)[O-])Cl)O)C3=CC=C(C=C3)S(=O)(=O)O |
| InChIKey | XFQOAYVRNONXOR-UHFFFAOYSA-N |
Product Overview
RefChem:287794 (CAS 83784-13-8), with molecular formula C16H12ClN5O7S and molecular weight 453.01 g/mol. IUPAC: 4-[4-[(3-chloro-2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid.
Chemical Property Profile of RefChem:287794
Property Insights of RefChem:287794
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:287794. The TPSA of 186.0 Ų indicates high polarity, suggesting RefChem:287794 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:287794 has 2 hydrogen bond donor(s) and 10 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:287794?
The CAS number of RefChem:287794 is 83784-13-8.
What is the molecular formula of RefChem:287794?
The molecular formula of RefChem:287794 is C16H12ClN5O7S.
What is the molecular weight of RefChem:287794?
The molecular weight of RefChem:287794 is 453.01 g/mol.
Where can I buy RefChem:287794?
You can request a quote for RefChem:287794 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:287794?
Yes, KEHONG BIO provides custom synthesis services for RefChem:287794 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.