![5-Methylbenzo[a]anthracene;2,4,7-trinitrofluoren-9-one structure](/static/products/7596/7596-11-4.webp)
5-Methylbenzo[a]anthracene;2,4,7-trinitrofluoren-9-one
TL;DR: 5-Methylbenzo[a]anthracene;2,4,7-trinitrofluoren-9-one (CAS 7596-11-4) is a chemical compound with molecular formula C32H19N3O7 and molecular weight 557.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methylbenzo[a]anthracene;2,4,7-trinitrofluoren-9-one
Also Known As: 5-methylbenzo[a]anthracene;2,4,7-trinitrofluoren-9-one, 5-methylbenzo[a]anthracene; 2,4,7-trinitrofluoren-9-one, 2,4,7-Trinitro-9H-fluoren-9-one--5-methyltetraphene (1/1)
| Molecular Formula | C32H19N3O7 |
|---|---|
| Molecular Weight | 557.12 g/mol |
| LogP | 8.07722 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 557.1223 |
| Heavy Atoms | 42 |
| Complexity | 883.0 |
Chemical Identifiers
| CAS Number | 7596-11-4 |
|---|---|
| SMILES | CC1=CC2=CC3=CC=CC=C3C=C2C4=CC=CC=C14.C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=C2C(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | SPDLTBMDXMXJLG-UHFFFAOYSA-N |
Product Overview
5-Methylbenzo[a]anthracene;2,4,7-trinitrofluoren-9-one (CAS 7596-11-4), with molecular formula C32H19N3O7 and molecular weight 557.12 g/mol. IUPAC: 5-methylbenzo[a]anthracene;2,4,7-trinitrofluoren-9-one.
Chemical Property Profile of 5-Methylbenzo[a]anthracene;2,4,7-trinitrofluoren-9-one
Property Insights of 5-Methylbenzo[a]anthracene;2,4,7-trinitrofluoren-9-one
The XLogP value of 8.07722 indicates that 5-Methylbenzo[a]anthracene;2,4,7-trinitrofluoren-9-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.0 Ų indicates high polarity, suggesting 5-Methylbenzo[a]anthracene;2,4,7-trinitrofluoren-9-one may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Methylbenzo[a]anthracene;2,4,7-trinitrofluoren-9-one has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Methylbenzo[a]anthracene;2,4,7-trinitrofluoren-9-one?
The CAS number of 5-Methylbenzo[a]anthracene;2,4,7-trinitrofluoren-9-one is 7596-11-4.
What is the molecular formula of 5-Methylbenzo[a]anthracene;2,4,7-trinitrofluoren-9-one?
The molecular formula of 5-Methylbenzo[a]anthracene;2,4,7-trinitrofluoren-9-one is C32H19N3O7.
What is the molecular weight of 5-Methylbenzo[a]anthracene;2,4,7-trinitrofluoren-9-one?
The molecular weight of 5-Methylbenzo[a]anthracene;2,4,7-trinitrofluoren-9-one is 557.12 g/mol.
Where can I buy 5-Methylbenzo[a]anthracene;2,4,7-trinitrofluoren-9-one?
You can request a quote for 5-Methylbenzo[a]anthracene;2,4,7-trinitrofluoren-9-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methylbenzo[a]anthracene;2,4,7-trinitrofluoren-9-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Methylbenzo[a]anthracene;2,4,7-trinitrofluoren-9-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.