C16H13N5O7S
TL;DR: C16H13N5O7S (CAS 24041-30-3) is a chemical compound with molecular formula C16H13N5O7S and molecular weight 419.05356 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-hydroxy-3-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]-5-nitrobenzenesulfonic acid
Also Known As: AE-641/00186020, 3-[azo]-4-hydroxy-5-nitrobenzenesulphonicacid, 3-[ azo]-4-hydroxy-5-nitrobenzenesulphonicacid, 3-((4,5-Dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-4-hydroxy-5-nitrobenzenesulphonic acid, 3-[2-(4,5-Dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl]-4-hydroxy-5-nitrobenzenesulfonic acid
Technical Specifications
| Molecular Formula | C16H13N5O7S |
| Molecular Weight | 419.05356 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 186.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 419.05356 Da |
| Heavy Atoms | 29 |
| Complexity | 812.0 |
| SMILES | CC1=NN(C(=O)C1N=NC2=C(C(=CC(=C2)S(=O)(=O)O)[N+](=O)[O-])O)C3=CC=CC=C3 |
| InChIKey | QUANISJMUGIEPC-UHFFFAOYSA-N |
Chemical Property Profile of C16H13N5O7S
Property Insights of C16H13N5O7S
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C16H13N5O7S. The TPSA of 186.0 Ų indicates high polarity, suggesting C16H13N5O7S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C16H13N5O7S 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
What is the CAS number of C16H13N5O7S?
The CAS number of C16H13N5O7S is 24041-30-3.
What is the molecular formula of C16H13N5O7S?
The molecular formula of C16H13N5O7S is C16H13N5O7S.
What is the molecular weight of C16H13N5O7S?
The molecular weight of C16H13N5O7S is 419.05356 g/mol.
Where can I buy C16H13N5O7S?
You can request a quote for C16H13N5O7S directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C16H13N5O7S?
Yes, CoreyChem provides custom synthesis services for C16H13N5O7S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.