![CAS 4471-41-4 1,4-bis[(2-hydroxyethyl)amino]anthraquinone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/4471-41-4.gif)
CAS RN: 4471-41-4
1,4-bis[(2-hydroxyethyl)amino]anthraquinone
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250310 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS4471-41-4
- Purity/Analytical Methods: >99.0%
4471-41-4 / 1,4-bis(2-hydroxyethylamino)anthracene-9,10-dione
Basic Information
CAS
4471-41-4
Multi CAS
No
Molecular Formula
C18H18N2O4
Molecular Weight
326.300000
Exact Mass
326.126657
InChI
InChI=1S/C18H18N2O4/c21-9-7-19-13-5-6-14(20-8-10-22)16-15(13)17(23)11-3-1-2-4-12(11)18(16)24/h1-6,19-22H,7-10H2
InChIKey
PAZPNGYXNBABCM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.22
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
4
Molar refractivity
90.9
TPSA
98.66
LogP / Solubility
WLOGP
1.27
MLOGP
1.13
XLogP3
2.6
Consensus LogP
1.67
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
