C17H14N4O6S
TL;DR: C17H14N4O6S (CAS 54480-58-9) is a chemical compound with molecular formula C17H14N4O6S and molecular weight 402.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]benzoic acid
Also Known As: 2-((4,5-Dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-1H-pyrazol-4-yl)azo)benzoic acid, 2-[[3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]benzoic acid, 2-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-1H-pyrazol-4-yl]azo]benzoic acid, 2-[[4,5-dihydro-3-methyl-5-oxo-1-1h-pyrazol-4-yl]azo]benzoicacid, 2-{(e)-[3-methyl-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1h-pyrazol-4-yl]diazenyl}benzoic acid
| Molecular Formula | C17H14N4O6S |
|---|---|
| Molecular Weight | 402.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.06342 |
| Heavy Atoms | 28 |
| Complexity | 782.0 |
Chemical Identifiers
| CAS Number | 54480-58-9 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=CC=CC=C2C(=O)O)C3=CC=C(C=C3)S(=O)(=O)O |
| InChIKey | ISIJLUXQMTWMLC-UHFFFAOYSA-N |
Product Overview
C17H14N4O6S (CAS 54480-58-9), with molecular formula C17H14N4O6S and molecular weight 402.06 g/mol. IUPAC: 2-[[3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]benzoic acid.
Chemical Property Profile of C17H14N4O6S
Property Insights of C17H14N4O6S
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C17H14N4O6S. The TPSA of 157.0 Ų indicates high polarity, suggesting C17H14N4O6S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C17H14N4O6S has 2 hydrogen bond donor(s) and 9 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 C17H14N4O6S?
The CAS number of C17H14N4O6S is 54480-58-9.
What is the molecular formula of C17H14N4O6S?
The molecular formula of C17H14N4O6S is C17H14N4O6S.
What is the molecular weight of C17H14N4O6S?
The molecular weight of C17H14N4O6S is 402.06 g/mol.
Where can I buy C17H14N4O6S?
You can request a quote for C17H14N4O6S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C17H14N4O6S?
Yes, KEHONG BIO provides custom synthesis services for C17H14N4O6S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.