2-(Dibromomethyl)-1-nitroanthracene-9,10-dione
TL;DR: 2-(Dibromomethyl)-1-nitroanthracene-9,10-dione (CAS 6941-85-1) is a chemical compound with molecular formula C15H7Br2NO4 and molecular weight 422.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dibromomethyl)-1-nitroanthracene-9,10-dione
Also Known As: 2-(dibromomethyl)-1-nitroanthracene-9,10-dione, 9,10-Anthracenedione,2-(dibromomethyl)-1-nitro-
| Molecular Formula | C15H7Br2NO4 |
|---|---|
| Molecular Weight | 422.87 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 80.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 422.87418 |
| Heavy Atoms | 22 |
| Complexity | 504.0 |
Chemical Identifiers
| CAS Number | 6941-85-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)C(Br)Br)[N+](=O)[O-] |
| InChIKey | BXZDZTNIJGLMJO-UHFFFAOYSA-N |
Product Overview
2-(Dibromomethyl)-1-nitroanthracene-9,10-dione (CAS 6941-85-1), with molecular formula C15H7Br2NO4 and molecular weight 422.87 g/mol. IUPAC: 2-(dibromomethyl)-1-nitroanthracene-9,10-dione.
Chemical Property Profile of 2-(Dibromomethyl)-1-nitroanthracene-9,10-dione
Property Insights of 2-(Dibromomethyl)-1-nitroanthracene-9,10-dione
The XLogP value of 4.1 indicates that 2-(Dibromomethyl)-1-nitroanthracene-9,10-dione 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-(Dibromomethyl)-1-nitroanthracene-9,10-dione. Following Lipinski's Rule of Five, 2-(Dibromomethyl)-1-nitroanthracene-9,10-dione 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-(Dibromomethyl)-1-nitroanthracene-9,10-dione?
The CAS number of 2-(Dibromomethyl)-1-nitroanthracene-9,10-dione is 6941-85-1.
What is the molecular formula of 2-(Dibromomethyl)-1-nitroanthracene-9,10-dione?
The molecular formula of 2-(Dibromomethyl)-1-nitroanthracene-9,10-dione is C15H7Br2NO4.
What is the molecular weight of 2-(Dibromomethyl)-1-nitroanthracene-9,10-dione?
The molecular weight of 2-(Dibromomethyl)-1-nitroanthracene-9,10-dione is 422.87 g/mol.
Where can I buy 2-(Dibromomethyl)-1-nitroanthracene-9,10-dione?
You can request a quote for 2-(Dibromomethyl)-1-nitroanthracene-9,10-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Dibromomethyl)-1-nitroanthracene-9,10-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(Dibromomethyl)-1-nitroanthracene-9,10-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.