Pigment Yellow 185
TL;DR: Pigment Yellow 185 (CAS 76199-85-4) is a chemical compound with molecular formula C16H11N5O4 and molecular weight 337.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-2-[3-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)isoindol-1-ylidene]-N-methylacetamide
Also Known As: Pigment Yellow 185, C.I. Pigment Yellow 185, 2-Cyano-2-[3-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)isoindol-1-ylidene]-N-methylacetamide, (2Z)-2-cyano-N-methyl-2-[3-(2,4,6-trioxo-1,3-diazinan-5-ylidene)isoindol-1-ylidene]acetamide, 2-Cyano-2-[2,3-dihydro-3-(tetrahydro-2,4,6-trioxo-5(2H)-pyrimidinylidene)-1H-isoindol-1-ylidene]-N-methylacetamide
| Molecular Formula | C16H11N5O4 |
|---|---|
| Molecular Weight | 337.08 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 337.08112 |
| Heavy Atoms | 25 |
| Complexity | 814.0 |
Chemical Identifiers
| CAS Number | 76199-85-4 |
|---|---|
| SMILES | CNC(=O)C(=C1C2=CC=CC=C2C(=N1)C3=C(NC(=O)NC3=O)O)C#N |
| InChIKey | SNZMGUPMUOWIDP-UHFFFAOYSA-N |
Product Overview
Pigment Yellow 185 (CAS 76199-85-4), with molecular formula C16H11N5O4 and molecular weight 337.08 g/mol. IUPAC: 2-cyano-2-[3-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)isoindol-1-ylidene]-N-methylacetamide.
Chemical Property Profile of Pigment Yellow 185
Property Insights of Pigment Yellow 185
The XLogP value of -0.3 indicates that Pigment Yellow 185 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 144.0 Ų indicates high polarity, suggesting Pigment Yellow 185 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pigment Yellow 185 has 4 hydrogen bond donor(s) and 6 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 Pigment Yellow 185?
The CAS number of Pigment Yellow 185 is 76199-85-4.
What is the molecular formula of Pigment Yellow 185?
The molecular formula of Pigment Yellow 185 is C16H11N5O4.
What is the molecular weight of Pigment Yellow 185?
The molecular weight of Pigment Yellow 185 is 337.08 g/mol.
Where can I buy Pigment Yellow 185?
You can request a quote for Pigment Yellow 185 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pigment Yellow 185?
Yes, KEHONG BIO provides custom synthesis services for Pigment Yellow 185 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.