EINECS 299-883-5
TL;DR: EINECS 299-883-5 (CAS 93918-02-6) is a chemical compound with molecular formula C17H15N5O7S and molecular weight 433.0692 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[4-[(2-hydroxy-5-methyl-3-nitrophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid
Also Known As: p-(4,5-Dihydro-4-((2-hydroxy-5-methyl-3-nitrophenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid, 4-[[4,5-Dihydro-4-[(2-hydroxy-5-methyl-3-nitrophenyl)azo]-3-methyl-5-oxo-1H-pyrazol]-1-yl]benzenesulfonic acid, 4-[3-methyl-4-[(2Z)-2-(3-methyl-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)hydrazinyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid, 4-[4,5-Dihydro-4-[2-(2-hydroxy-5-methyl-3-nitrophenyl)diazenyl]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid, 4-{4-[2-(2-hydroxy-5-methyl-3-nitrophenyl)diazen-1-yl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzene-1-sulfonic acid
Technical Specifications
| Molecular Formula | C17H15N5O7S |
| Molecular Weight | 433.0692 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 186.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 433.0692 Da |
| Heavy Atoms | 30 |
| Complexity | 842.0 |
| SMILES | CC1=CC(=C(C(=C1)[N+](=O)[O-])O)N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C |
| InChIKey | UIJUXOCLYPFXDN-UHFFFAOYSA-N |
Chemical Property Profile of EINECS 299-883-5
Property Insights of EINECS 299-883-5
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 299-883-5. The TPSA of 186.0 Ų indicates high polarity, suggesting EINECS 299-883-5 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 299-883-5 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 EINECS 299-883-5?
The CAS number of EINECS 299-883-5 is 93918-02-6.
What is the molecular formula of EINECS 299-883-5?
The molecular formula of EINECS 299-883-5 is C17H15N5O7S.
What is the molecular weight of EINECS 299-883-5?
The molecular weight of EINECS 299-883-5 is 433.0692 g/mol.
Where can I buy EINECS 299-883-5?
You can request a quote for EINECS 299-883-5 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for EINECS 299-883-5?
Yes, CoreyChem provides custom synthesis services for EINECS 299-883-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.