Pigment Yellow 111
TL;DR: Pigment Yellow 111 (CAS 15993-42-7) is a chemical compound with molecular formula C18H17ClN4O6 and molecular weight 420.08365 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(5-chloro-2-methoxyphenyl)-2-[(2-methoxy-4-nitrophenyl)diazenyl]-3-oxobutanamide
Also Known As: Pigment Yellow 111, IRGALITE YELLOW F 4G, CI PIGMENT YELLOW 111, C.I. PIGMENT YELLOW 111, HY-D0511
Technical Specifications
| Molecular Formula | C18H17ClN4O6 |
| Molecular Weight | 420.08365 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 135.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 420.08365 Da |
| Heavy Atoms | 29 |
| Complexity | 628.0 |
| SMILES | CC(=O)C(C(=O)NC1=C(C=CC(=C1)Cl)OC)N=NC2=C(C=C(C=C2)[N+](=O)[O-])OC |
| InChIKey | AYOFXUHULUCJBF-UHFFFAOYSA-N |
Chemical Property Profile of Pigment Yellow 111
Property Insights of Pigment Yellow 111
The XLogP value of 3.9 indicates that Pigment Yellow 111 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pigment Yellow 111. Following Lipinski's Rule of Five, Pigment Yellow 111 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Pigment Yellow 111?
The CAS number of Pigment Yellow 111 is 15993-42-7.
What is the molecular formula of Pigment Yellow 111?
The molecular formula of Pigment Yellow 111 is C18H17ClN4O6.
What is the molecular weight of Pigment Yellow 111?
The molecular weight of Pigment Yellow 111 is 420.08365 g/mol.
Where can I buy Pigment Yellow 111?
You can request a quote for Pigment Yellow 111 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pigment Yellow 111?
Yes, CoreyChem provides custom synthesis services for Pigment Yellow 111 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.