RefChem:434831
TL;DR: RefChem:434831 (CAS 70833-47-5) is a chemical compound with molecular formula C21H17ClN4O4S and molecular weight 456.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[1-(2-chloro-6-methylphenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]naphthalene-1-sulfonic acid
Also Known As: 1-(2-Chloro-6-methylphenyl)-3-methyl-4-((1-sulfo-2-naphthalenyl)azo)-2-pyrazolin-5-one, 1-Naphthalenesulfonic acid, 2-((1-(2-chloro-6-methylphenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-, 1-Naphthalenesulfonic acid, 2-(2-(1-(2-chloro-6-methylphenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)diazenyl)-, 1-Naphthalenesulfonic acid, 2-[[1-(2-chloro-6-methylphenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-, 1-Naphthalenesulfonic acid, 2-[2-[1-(2-chloro-6-methylphenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]-
| Molecular Formula | C21H17ClN4O4S |
|---|---|
| Molecular Weight | 456.07 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 456.06592 |
| Heavy Atoms | 31 |
| Complexity | 858.0 |
Chemical Identifiers
| CAS Number | 70833-47-5 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)Cl)N2C(=O)C(C(=N2)C)N=NC3=C(C4=CC=CC=C4C=C3)S(=O)(=O)O |
| InChIKey | KGIUUGAGFHWHRX-UHFFFAOYSA-N |
Product Overview
RefChem:434831 (CAS 70833-47-5), with molecular formula C21H17ClN4O4S and molecular weight 456.07 g/mol. IUPAC: 2-[[1-(2-chloro-6-methylphenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]naphthalene-1-sulfonic acid.
Chemical Property Profile of RefChem:434831
Property Insights of RefChem:434831
The XLogP value of 4.3 indicates that RefChem:434831 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:434831. Following Lipinski's Rule of Five, RefChem:434831 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
Frequently Asked Questions
What is the CAS number of RefChem:434831?
The CAS number of RefChem:434831 is 70833-47-5.
What is the molecular formula of RefChem:434831?
The molecular formula of RefChem:434831 is C21H17ClN4O4S.
What is the molecular weight of RefChem:434831?
The molecular weight of RefChem:434831 is 456.07 g/mol.
Where can I buy RefChem:434831?
You can request a quote for RefChem:434831 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:434831?
Yes, KEHONG BIO provides custom synthesis services for RefChem:434831 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.