RefChem:250276
TL;DR: RefChem:250276 (CAS 66104-59-4) is a chemical compound with molecular formula C17H12Cl2N4O6S and molecular weight 469.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(2,5-dichloro-4-sulfophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]benzoic acid
Also Known As: Benzoic acid, 2-((1-(2,5-dichloro-4-sulfophenyl)-2,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-, Benzoic acid, 2-[[1-(2,5-dichloro-4-sulfophenyl)-2,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-, Benzoic acid, 2-(2-(1-(2,5-dichloro-4-sulfophenyl)-2,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)diazenyl)-, 2-(2-(1-(2,5-Dichloro-4-sulfophenyl)-2,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)diazenyl)benzoic acid, 2-[[[1-(2,5-Dichloro-4-sulfophenyl)-2,5-dihydro-3-methyl-5-oxo-1H-pyrazol]-4-yl]azo]benzoic acid
| Molecular Formula | C17H12Cl2N4O6S |
|---|---|
| Molecular Weight | 469.99 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 469.98547 |
| Heavy Atoms | 30 |
| Complexity | 874.0 |
Chemical Identifiers
| CAS Number | 66104-59-4 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC(=C(C=C2Cl)S(=O)(=O)O)Cl)N=NC3=CC=CC=C3C(=O)O |
| InChIKey | AVESNVDAKVOEES-UHFFFAOYSA-N |
Product Overview
RefChem:250276 (CAS 66104-59-4), with molecular formula C17H12Cl2N4O6S and molecular weight 469.99 g/mol. IUPAC: 2-[[2-(2,5-dichloro-4-sulfophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]benzoic acid.
Chemical Property Profile of RefChem:250276
Property Insights of RefChem:250276
The XLogP value of 3.4 indicates that RefChem:250276 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 157.0 Ų indicates high polarity, suggesting RefChem:250276 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:250276 has 3 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 RefChem:250276?
The CAS number of RefChem:250276 is 66104-59-4.
What is the molecular formula of RefChem:250276?
The molecular formula of RefChem:250276 is C17H12Cl2N4O6S.
What is the molecular weight of RefChem:250276?
The molecular weight of RefChem:250276 is 469.99 g/mol.
Where can I buy RefChem:250276?
You can request a quote for RefChem:250276 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:250276?
Yes, KEHONG BIO provides custom synthesis services for RefChem:250276 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.