Pigment Yellow 181
TL;DR: Pigment Yellow 181 (CAS 74441-05-7) is a chemical compound with molecular formula C25H21N7O5 and molecular weight 499.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butan-2-yl]diazenyl]benzoyl]amino]benzamide
Also Known As: Pigment Yellow 181, C.I. Pigment Yellow 181, C.I.Pigment Yellow 181, 1564AC, EC 277-873-1
| Molecular Formula | C25H21N7O5 |
|---|---|
| Molecular Weight | 499.16 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 184.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 499.16043 |
| Heavy Atoms | 37 |
| Complexity | 924.0 |
Chemical Identifiers
| CAS Number | 74441-05-7 |
|---|---|
| SMILES | CC(=O)C(C(=O)NC1=CC2=C(C=C1)NC(=O)N2)N=NC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)N |
| InChIKey | PXMLTVJEYHGPEH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pigment Yellow 181 (CAS 74441-05-7), with molecular formula C25H21N7O5 and molecular weight 499.16 g/mol. IUPAC: 4-[[4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butan-2-yl]diazenyl]benzoyl]amino]benzamide.
Chemical Property Profile of Pigment Yellow 181
Property Insights of Pigment Yellow 181
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pigment Yellow 181. The TPSA of 184.0 Ų indicates high polarity, suggesting Pigment Yellow 181 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pigment Yellow 181 has 5 hydrogen bond donor(s) and 7 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 181?
The CAS number of Pigment Yellow 181 is 74441-05-7.
What is the molecular formula of Pigment Yellow 181?
The molecular formula of Pigment Yellow 181 is C25H21N7O5.
What is the molecular weight of Pigment Yellow 181?
The molecular weight of Pigment Yellow 181 is 499.16 g/mol.
Where can I buy Pigment Yellow 181?
You can request a quote for Pigment Yellow 181 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pigment Yellow 181?
Yes, KEHONG BIO provides custom synthesis services for Pigment Yellow 181 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.