C16H12ClN5O7S
TL;DR: C16H12ClN5O7S (CAS 23969-24-6) 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.
3-[[1-(3-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-4-hydroxy-5-nitrobenzenesulfonic acid
Also Known As: 3-((1-(3-Chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-4-hydroxy-5-nitrobenzenesulphonic acid, Benzenesulfonic acid,3-[2-[1-(3-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]-4-hydroxy-5-nitro-, (3Z)-3-[[1-(3-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]hydrazinylidene]-5-nitro-4-oxocyclohexa-1,5-diene-1-sulfonic acid, 1-(3-Chlorophenyl)-4-(2-hydroxy-3-nitro-5-sulfophenylazo)-4,5-dihydro-3-methyl-1H-pyrazole-5-one, 3-[[1- -4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-4-hydroxy-5-nitrobenzenesulphonicacid
| Molecular Formula | C16H12ClN5O7S |
|---|---|
| Molecular Weight | 453.01 g/mol |
| LogP | 2.7 |
| 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 | 855.0 |
Chemical Identifiers
| CAS Number | 23969-24-6 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=C(C(=CC(=C2)S(=O)(=O)O)[N+](=O)[O-])O)C3=CC(=CC=C3)Cl |
| InChIKey | LKEVQWMUALHPNS-UHFFFAOYSA-N |
Product Overview
C16H12ClN5O7S (CAS 23969-24-6), with molecular formula C16H12ClN5O7S and molecular weight 453.01 g/mol. IUPAC: 3-[[1-(3-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-4-hydroxy-5-nitrobenzenesulfonic acid.
Chemical Property Profile of C16H12ClN5O7S
Property Insights of C16H12ClN5O7S
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C16H12ClN5O7S. The TPSA of 186.0 Ų indicates high polarity, suggesting C16H12ClN5O7S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C16H12ClN5O7S 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 C16H12ClN5O7S?
The CAS number of C16H12ClN5O7S is 23969-24-6.
What is the molecular formula of C16H12ClN5O7S?
The molecular formula of C16H12ClN5O7S is C16H12ClN5O7S.
What is the molecular weight of C16H12ClN5O7S?
The molecular weight of C16H12ClN5O7S is 453.01 g/mol.
Where can I buy C16H12ClN5O7S?
You can request a quote for C16H12ClN5O7S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16H12ClN5O7S?
Yes, KEHONG BIO provides custom synthesis services for C16H12ClN5O7S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.