16-Nitroviolanthrone
TL;DR: 16-Nitroviolanthrone (CAS 128-60-9) is a chemical compound with molecular formula C34H15NO4 and molecular weight 501.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
30-nitrononacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2,4,6,8,10,13,15,17(31),18,20(32),22,24,26,28,33-hexadecaene-12,21-dione
Also Known As: 16-Nitroviolanthrone, Indanthrene Black BBN, Vat Green 9, NITHRON, INDANTHRENEBLACKBBN
| Molecular Formula | C34H15NO4 |
|---|---|
| Molecular Weight | 501.10 g/mol |
| LogP | 7.9 |
| Topological Polar Surface Area | 80.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 501.1001 |
| Heavy Atoms | 39 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 128-60-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C4C(=CC=C5C4=C(C=C3)C6=C(C=C7C8=CC=CC=C8C(=O)C9=C7C6=C5C=C9)[N+](=O)[O-])C2=O |
| InChIKey | LNNHYUOWYOSHPH-UHFFFAOYSA-N |
Product Overview
16-Nitroviolanthrone (CAS 128-60-9), with molecular formula C34H15NO4 and molecular weight 501.10 g/mol. IUPAC: 30-nitrononacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2,4,6,8,10,13,15,17(31),18,20(32),22,24,26,28,33-hexadecaene-12,21-dione.
Chemical Property Profile of 16-Nitroviolanthrone
Property Insights of 16-Nitroviolanthrone
The XLogP value of 7.9 indicates that 16-Nitroviolanthrone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 16-Nitroviolanthrone. Following Lipinski's Rule of Five, 16-Nitroviolanthrone has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 16-Nitroviolanthrone?
The CAS number of 16-Nitroviolanthrone is 128-60-9.
What is the molecular formula of 16-Nitroviolanthrone?
The molecular formula of 16-Nitroviolanthrone is C34H15NO4.
What is the molecular weight of 16-Nitroviolanthrone?
The molecular weight of 16-Nitroviolanthrone is 501.10 g/mol.
Where can I buy 16-Nitroviolanthrone?
You can request a quote for 16-Nitroviolanthrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16-Nitroviolanthrone?
Yes, KEHONG BIO provides custom synthesis services for 16-Nitroviolanthrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.