RefChem:564101
TL;DR: RefChem:564101 (CAS 67846-58-6) is a chemical compound with molecular formula C16H11Cl3N4O4S and molecular weight 459.95667 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,5-dichloro-4-[4-[(4-chlorophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid
Also Known As: Benzenesulfonic acid, 2,5-dichloro-4-(4-((4-chlorophenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, 2,5-DICHLORO-4-[4-[(4-CHLOROPHENYL)AZO]-4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-1-YL]BENZENESULPHONIC ACID, Benzenesulfonic acid, 2,5-dichloro-4-(4-(2-(4-chlorophenyl)diazenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, Benzenesulfonic acid, 2,5-dichloro-4-[4-[(4-chlorophenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, Benzenesulfonic acid, 2,5-dichloro-4-[4-[2-(4-chlorophenyl)diazenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-
Technical Specifications
| Molecular Formula | C16H11Cl3N4O4S |
| Molecular Weight | 459.95667 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 120.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 459.95667 Da |
| Heavy Atoms | 28 |
| Complexity | 764.0 |
| SMILES | CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)Cl)C3=CC(=C(C=C3Cl)S(=O)(=O)O)Cl |
| InChIKey | ZGJOYJOGEVRBHB-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:564101
Property Insights of RefChem:564101
The XLogP value of 3.9 indicates that RefChem:564101 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:564101. Following Lipinski's Rule of Five, RefChem:564101 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:564101?
The CAS number of RefChem:564101 is 67846-58-6.
What is the molecular formula of RefChem:564101?
The molecular formula of RefChem:564101 is C16H11Cl3N4O4S.
What is the molecular weight of RefChem:564101?
The molecular weight of RefChem:564101 is 459.95667 g/mol.
Where can I buy RefChem:564101?
You can request a quote for RefChem:564101 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:564101?
Yes, CoreyChem provides custom synthesis services for RefChem:564101 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.