Pigment Yellow 116
TL;DR: Pigment Yellow 116 (CAS 30191-02-7) is a chemical compound with molecular formula C19H18ClN5O4 and molecular weight 415.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[1-(4-acetamidoanilino)-1,3-dioxobutan-2-yl]diazenyl]-4-chlorobenzamide
Also Known As: Pigment Yellow 116, 4'-acetamido-2-[ azo]acetoacetanilide, 4'-acetamido-2-[(5-carbamoyl-2-chlorophenyl)azo]acetoacetanilide, 3-[[1-(4-acetamidoanilino)-1,3-dioxobutan-2-yl]diazenyl]-4-chlorobenzamide, 2-((2-Chloro-5-(aminocarbonyl)phenyl)azo)-N-(4-acetamidophenyl)-3-oxobutanamide
| Molecular Formula | C19H18ClN5O4 |
|---|---|
| Molecular Weight | 415.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 415.10474 |
| Heavy Atoms | 29 |
| Complexity | 663.0 |
Chemical Identifiers
| CAS Number | 30191-02-7 |
|---|---|
| SMILES | CC(=O)C(C(=O)NC1=CC=C(C=C1)NC(=O)C)N=NC2=C(C=CC(=C2)C(=O)N)Cl |
| InChIKey | OZMMPFKPKJORTG-UHFFFAOYSA-N |
Product Overview
Pigment Yellow 116 (CAS 30191-02-7), with molecular formula C19H18ClN5O4 and molecular weight 415.10 g/mol. IUPAC: 3-[[1-(4-acetamidoanilino)-1,3-dioxobutan-2-yl]diazenyl]-4-chlorobenzamide.
Chemical Property Profile of Pigment Yellow 116
Property Insights of Pigment Yellow 116
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pigment Yellow 116. The TPSA of 143.0 Ų indicates high polarity, suggesting Pigment Yellow 116 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pigment Yellow 116 has 3 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 116?
The CAS number of Pigment Yellow 116 is 30191-02-7.
What is the molecular formula of Pigment Yellow 116?
The molecular formula of Pigment Yellow 116 is C19H18ClN5O4.
What is the molecular weight of Pigment Yellow 116?
The molecular weight of Pigment Yellow 116 is 415.10 g/mol.
Where can I buy Pigment Yellow 116?
You can request a quote for Pigment Yellow 116 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pigment Yellow 116?
Yes, KEHONG BIO provides custom synthesis services for Pigment Yellow 116 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.