1-((3-Hydroxypropyl)amino)-4-(methylamino)anthraquinone
TL;DR: 1-((3-Hydroxypropyl)amino)-4-(methylamino)anthraquinone (CAS 56504-94-0) is a chemical compound with molecular formula C18H18N2O3 and molecular weight 310.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-hydroxypropylamino)-4-(methylamino)anthracene-9,10-dione
Also Known As: 1-[ amino]-4- anthraquinone, Polyhydroxystearic acid stearate, 1-((3-Hydroxypropyl)amino)-4-(methylamino)anthraquinone, KST-1B5868, 1-[(3-HYDROXYPROPYL)AMINO]-4-(METHYLAMINO)ANTHRAQUINONE
| Molecular Formula | C18H18N2O3 |
|---|---|
| Molecular Weight | 310.13 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 310.13174 |
| Heavy Atoms | 23 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 56504-94-0 |
|---|---|
| SMILES | CNC1=C2C(=C(C=C1)NCCCO)C(=O)C3=CC=CC=C3C2=O |
| InChIKey | AWFZMEBVAIDNSS-UHFFFAOYSA-N |
Product Overview
1-((3-Hydroxypropyl)amino)-4-(methylamino)anthraquinone (CAS 56504-94-0), with molecular formula C18H18N2O3 and molecular weight 310.13 g/mol. IUPAC: 1-(3-hydroxypropylamino)-4-(methylamino)anthracene-9,10-dione.
Chemical Property Profile of 1-((3-Hydroxypropyl)amino)-4-(methylamino)anthraquinone
Property Insights of 1-((3-Hydroxypropyl)amino)-4-(methylamino)anthraquinone
The XLogP value of 3.6 indicates that 1-((3-Hydroxypropyl)amino)-4-(methylamino)anthraquinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-((3-Hydroxypropyl)amino)-4-(methylamino)anthraquinone. Following Lipinski's Rule of Five, 1-((3-Hydroxypropyl)amino)-4-(methylamino)anthraquinone 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-Hydroxypropyl)amino)-4-(methylamino)anthraquinone?
The CAS number of 1-((3-Hydroxypropyl)amino)-4-(methylamino)anthraquinone is 56504-94-0.
What is the molecular formula of 1-((3-Hydroxypropyl)amino)-4-(methylamino)anthraquinone?
The molecular formula of 1-((3-Hydroxypropyl)amino)-4-(methylamino)anthraquinone is C18H18N2O3.
What is the molecular weight of 1-((3-Hydroxypropyl)amino)-4-(methylamino)anthraquinone?
The molecular weight of 1-((3-Hydroxypropyl)amino)-4-(methylamino)anthraquinone is 310.13 g/mol.
Where can I buy 1-((3-Hydroxypropyl)amino)-4-(methylamino)anthraquinone?
You can request a quote for 1-((3-Hydroxypropyl)amino)-4-(methylamino)anthraquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((3-Hydroxypropyl)amino)-4-(methylamino)anthraquinone?
Yes, KEHONG BIO provides custom synthesis services for 1-((3-Hydroxypropyl)amino)-4-(methylamino)anthraquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.