2-Methyl-1-nitroanthraquinone
TL;DR: 2-Methyl-1-nitroanthraquinone (CAS 129-15-7) is a chemical compound with molecular formula C15H9NO4 and molecular weight 267.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1-nitroanthracene-9,10-dione
Also Known As: 2-METHYL-1-NITROANTHRAQUINONE, Violet Cibacet 2R, 2-methyl-1-nitroanthracene-9,10-dione, 1-Nitro-2-methylanthraquinone, Anthraquinone, 2-methyl-1-nitro-
| Molecular Formula | C15H9NO4 |
|---|---|
| Molecular Weight | 267.05 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 80.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 267.05316 |
| Heavy Atoms | 20 |
| Complexity | 455.0 |
| Melting Point | 518 to 271.1 °C |
| Solubility | less than 0.1 mg/mL at 70 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 129-15-7 |
|---|---|
| SMILES | CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-] |
| InChIKey | FYXKXZFTZBYYNP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-1-nitroanthraquinone (CAS 129-15-7), with molecular formula C15H9NO4 and molecular weight 267.05 g/mol. IUPAC: 2-methyl-1-nitroanthracene-9,10-dione.
Chemical Property Profile of 2-Methyl-1-nitroanthraquinone
Property Insights of 2-Methyl-1-nitroanthraquinone
The XLogP value of 3.1 indicates that 2-Methyl-1-nitroanthraquinone 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 2-Methyl-1-nitroanthraquinone. Following Lipinski's Rule of Five, 2-Methyl-1-nitroanthraquinone has 0 hydrogen bond donor(s) and 4 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 2-Methyl-1-nitroanthraquinone?
The CAS number of 2-Methyl-1-nitroanthraquinone is 129-15-7.
What is the molecular formula of 2-Methyl-1-nitroanthraquinone?
The molecular formula of 2-Methyl-1-nitroanthraquinone is C15H9NO4.
What is the molecular weight of 2-Methyl-1-nitroanthraquinone?
The molecular weight of 2-Methyl-1-nitroanthraquinone is 267.05 g/mol.
Where can I buy 2-Methyl-1-nitroanthraquinone?
You can request a quote for 2-Methyl-1-nitroanthraquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-1-nitroanthraquinone?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-1-nitroanthraquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.