Vat Yellow 12
TL;DR: Vat Yellow 12 (CAS 5279-08-3) is a chemical compound with molecular formula C44H26N4O8 and molecular weight 738.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N'-bis(5-benzamido-9,10-dioxoanthracen-1-yl)oxamide
Also Known As: Vat Yellow 12, C.I.Vat Yellow 12, Indanthren Yellow 3GFN, Vat Yellow 12 (C.I.), C.I. Vat Yellow 12
| Molecular Formula | C44H26N4O8 |
|---|---|
| Molecular Weight | 738.18 g/mol |
| LogP | 8.1 |
| Topological Polar Surface Area | 185.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 738.17505 |
| Heavy Atoms | 56 |
| Complexity | 1480.0 |
Chemical Identifiers
| CAS Number | 5279-08-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)NC(=O)C(=O)NC5=CC=CC6=C5C(=O)C7=C(C6=O)C(=CC=C7)NC(=O)C8=CC=CC=C8 |
| InChIKey | NIBQRIIYVCTBDX-UHFFFAOYSA-N |
Product Overview
Vat Yellow 12 (CAS 5279-08-3), with molecular formula C44H26N4O8 and molecular weight 738.18 g/mol. IUPAC: N,N'-bis(5-benzamido-9,10-dioxoanthracen-1-yl)oxamide.
Chemical Property Profile of Vat Yellow 12
Property Insights of Vat Yellow 12
The XLogP value of 8.1 indicates that Vat Yellow 12 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 185.0 Ų indicates high polarity, suggesting Vat Yellow 12 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Vat Yellow 12 has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Vat Yellow 12?
The CAS number of Vat Yellow 12 is 5279-08-3.
What is the molecular formula of Vat Yellow 12?
The molecular formula of Vat Yellow 12 is C44H26N4O8.
What is the molecular weight of Vat Yellow 12?
The molecular weight of Vat Yellow 12 is 738.18 g/mol.
Where can I buy Vat Yellow 12?
You can request a quote for Vat Yellow 12 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vat Yellow 12?
Yes, KEHONG BIO provides custom synthesis services for Vat Yellow 12 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.