1-Amino-2,4-dibromoanthraquinone
TL;DR: 1-Amino-2,4-dibromoanthraquinone (CAS 81-49-2) is a chemical compound with molecular formula C14H7Br2NO2 and molecular weight 378.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-2,4-dibromoanthracene-9,10-dione
Also Known As: 1-AMINO-2,4-DIBROMOANTHRAQUINONE, Dibromoaminoanthraquinone, ADBAQ, 1-amino-2,4-dibromoanthracene-9,10-dione, 1-Amino-2,4-dibromanthrachinon
| Molecular Formula | C14H7Br2NO2 |
|---|---|
| Molecular Weight | 378.88 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 60.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 380.8823 |
| Heavy Atoms | 19 |
| Complexity | 414.0 |
| Melting Point | 226.1 °C |
| Solubility | less than 1 mg/mL at 73 °F (NTP, 1992) |
| Flash Point | greater than 200.0 °C |
Chemical Identifiers
| CAS Number | 81-49-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3Br)Br)N |
| InChIKey | ZINRVIQBCHAZMM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Amino-2,4-dibromoanthraquinone (CAS 81-49-2), with molecular formula C14H7Br2NO2 and molecular weight 378.88 g/mol. IUPAC: 1-amino-2,4-dibromoanthracene-9,10-dione.
Chemical Property Profile of 1-Amino-2,4-dibromoanthraquinone
Property Insights of 1-Amino-2,4-dibromoanthraquinone
The XLogP value of 4.1 indicates that 1-Amino-2,4-dibromoanthraquinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Amino-2,4-dibromoanthraquinone. Following Lipinski's Rule of Five, 1-Amino-2,4-dibromoanthraquinone has 1 hydrogen bond donor(s) and 3 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 1-Amino-2,4-dibromoanthraquinone?
The CAS number of 1-Amino-2,4-dibromoanthraquinone is 81-49-2.
What is the molecular formula of 1-Amino-2,4-dibromoanthraquinone?
The molecular formula of 1-Amino-2,4-dibromoanthraquinone is C14H7Br2NO2.
What is the molecular weight of 1-Amino-2,4-dibromoanthraquinone?
The molecular weight of 1-Amino-2,4-dibromoanthraquinone is 378.88 g/mol.
Where can I buy 1-Amino-2,4-dibromoanthraquinone?
You can request a quote for 1-Amino-2,4-dibromoanthraquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Amino-2,4-dibromoanthraquinone?
Yes, KEHONG BIO provides custom synthesis services for 1-Amino-2,4-dibromoanthraquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.