Basic yellow 57
TL;DR: Basic yellow 57 (CAS 68391-31-1) is a chemical compound with molecular formula C19H22ClN5O and molecular weight 371.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[3-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]phenyl]azanium chloride
Also Known As: Basic yellow 57, Basic Yellow 19, Basic Yellow 13, Basic Yellow 28, Arianor Straw Yellow
| Molecular Formula | C19H22ClN5O |
|---|---|
| Molecular Weight | 371.15 g/mol |
| LogP | 0.76 |
| Topological Polar Surface Area | 57.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 371.15128 |
| Heavy Atoms | 26 |
| Complexity | 545.0 |
Chemical Identifiers
| CAS Number | 68391-31-1 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=CC(=CC=C2)[N+](C)(C)C)C3=CC=CC=C3.[Cl-] |
| InChIKey | NWKBFCIAPOSTKG-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Basic yellow 57 (CAS 68391-31-1), with molecular formula C19H22ClN5O and molecular weight 371.15 g/mol. IUPAC: trimethyl-[3-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]phenyl]azanium chloride.
Chemical Property Profile of Basic yellow 57
Property Insights of Basic yellow 57
The XLogP value of 0.76 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Basic yellow 57. With a topological polar surface area (TPSA) of 57.4 Ų, Basic yellow 57 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Basic yellow 57 has 0 hydrogen bond donor(s) and 5 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 Basic yellow 57?
The CAS number of Basic yellow 57 is 68391-31-1.
What is the molecular formula of Basic yellow 57?
The molecular formula of Basic yellow 57 is C19H22ClN5O.
What is the molecular weight of Basic yellow 57?
The molecular weight of Basic yellow 57 is 371.15 g/mol.
Where can I buy Basic yellow 57?
You can request a quote for Basic yellow 57 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Basic yellow 57?
Yes, KEHONG BIO provides custom synthesis services for Basic yellow 57 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.