RefChem:434968
TL;DR: RefChem:434968 (CAS 68227-67-8) is a chemical compound with molecular formula C20H16N4O5S and molecular weight 424.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-7-(3-methyl-5-oxo-4-phenyldiazenyl-4H-pyrazol-1-yl)naphthalene-1-sulfonic acid
Also Known As: Acetylsulfapyridine-O-glucuronide, 7-(4,5-Dihydro-3-methyl-5-oxo-4-(phenylazo)-1H-pyrazol-1-yl)-3-hydroxy-1-naphthalenesulfonic acid, 3-hydroxy-7-{3-methyl-5-oxo-4-[(e)-phenyldiazenyl]-4,5-dihydro-1h-pyrazol-1-yl}naphthalene-1-sulfonic acid, 1-[3-(trifluoromethyl)phenyl]propan-2-amine hydrochloride(1:1), 1-Naphthalenesulfonic acid, 7-(4,5-dihydro-3-methyl-5-oxo-4-(2-phenyldiazenyl)-1H-pyrazol-1-yl)-3-hydroxy-
| Molecular Formula | C20H16N4O5S |
|---|---|
| Molecular Weight | 424.08 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 424.08414 |
| Heavy Atoms | 30 |
| Complexity | 818.0 |
Chemical Identifiers
| CAS Number | 68227-67-8 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=CC=CC=C2)C3=CC4=C(C=C(C=C4C=C3)O)S(=O)(=O)O |
| InChIKey | JKSAMORUXOGBSQ-UHFFFAOYSA-N |
Product Overview
RefChem:434968 (CAS 68227-67-8), with molecular formula C20H16N4O5S and molecular weight 424.08 g/mol. IUPAC: 3-hydroxy-7-(3-methyl-5-oxo-4-phenyldiazenyl-4H-pyrazol-1-yl)naphthalene-1-sulfonic acid.
Chemical Property Profile of RefChem:434968
Property Insights of RefChem:434968
The XLogP value of 3.0 indicates that RefChem:434968 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.0 Ų indicates high polarity, suggesting RefChem:434968 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:434968 has 2 hydrogen bond donor(s) and 8 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:434968?
The CAS number of RefChem:434968 is 68227-67-8.
What is the molecular formula of RefChem:434968?
The molecular formula of RefChem:434968 is C20H16N4O5S.
What is the molecular weight of RefChem:434968?
The molecular weight of RefChem:434968 is 424.08 g/mol.
Where can I buy RefChem:434968?
You can request a quote for RefChem:434968 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:434968?
Yes, KEHONG BIO provides custom synthesis services for RefChem:434968 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.