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1-[(3-Aminopropyl)amino]-4-(methylamino)-9,10-anthracenedione
TL;DR: 1-[(3-Aminopropyl)amino]-4-(methylamino)-9,10-anthracenedione (CAS 22366-99-0) is a chemical compound with molecular formula C18H19N3O2 and molecular weight 309.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-aminopropylamino)-4-(methylamino)anthracene-9,10-dione
Also Known As: HC Blue no. 8, 1-((3-Aminopropyl)amino)-4-(methylamino)anthraquinone, 1-((3-Aminopropyl)amino)-4-(methylamino)-9,10-anthracenedione, 1-(3-aminopropylamino)-4-(methylamino)anthracene-9,10-dione, 1-[(3-AMINOPROPYL)AMINO]-4-(METHYLAMINO)ANTHRAQUINONE
| Molecular Formula | C18H19N3O2 |
|---|---|
| Molecular Weight | 309.15 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 309.14774 |
| Heavy Atoms | 23 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 22366-99-0 |
|---|---|
| SMILES | CNC1=C2C(=C(C=C1)NCCCN)C(=O)C3=CC=CC=C3C2=O |
| InChIKey | MLDHMLJPHZYBDV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-[(3-Aminopropyl)amino]-4-(methylamino)-9,10-anthracenedione (CAS 22366-99-0), with molecular formula C18H19N3O2 and molecular weight 309.15 g/mol. IUPAC: 1-(3-aminopropylamino)-4-(methylamino)anthracene-9,10-dione.
Chemical Property Profile of 1-[(3-Aminopropyl)amino]-4-(methylamino)-9,10-anthracenedione
Property Insights of 1-[(3-Aminopropyl)amino]-4-(methylamino)-9,10-anthracenedione
The XLogP value of 3.4 indicates that 1-[(3-Aminopropyl)amino]-4-(methylamino)-9,10-anthracenedione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(3-Aminopropyl)amino]-4-(methylamino)-9,10-anthracenedione. Following Lipinski's Rule of Five, 1-[(3-Aminopropyl)amino]-4-(methylamino)-9,10-anthracenedione has 3 hydrogen bond donor(s) and 5 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-[(3-Aminopropyl)amino]-4-(methylamino)-9,10-anthracenedione?
The CAS number of 1-[(3-Aminopropyl)amino]-4-(methylamino)-9,10-anthracenedione is 22366-99-0.
What is the molecular formula of 1-[(3-Aminopropyl)amino]-4-(methylamino)-9,10-anthracenedione?
The molecular formula of 1-[(3-Aminopropyl)amino]-4-(methylamino)-9,10-anthracenedione is C18H19N3O2.
What is the molecular weight of 1-[(3-Aminopropyl)amino]-4-(methylamino)-9,10-anthracenedione?
The molecular weight of 1-[(3-Aminopropyl)amino]-4-(methylamino)-9,10-anthracenedione is 309.15 g/mol.
Where can I buy 1-[(3-Aminopropyl)amino]-4-(methylamino)-9,10-anthracenedione?
You can request a quote for 1-[(3-Aminopropyl)amino]-4-(methylamino)-9,10-anthracenedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(3-Aminopropyl)amino]-4-(methylamino)-9,10-anthracenedione?
Yes, KEHONG BIO provides custom synthesis services for 1-[(3-Aminopropyl)amino]-4-(methylamino)-9,10-anthracenedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.