CAS RN: 4533-39-5
Nitracrine
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.20250725 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS4533-39-5
- Purity/Analytical Methods: >99.0%
4533-39-5 / N',N'-dimethyl-N-(1-nitroacridin-9-yl)propane-1,3-diamine
Basic Information
CAS
4533-39-5
Multi CAS
No
Molecular Formula
C18H20N4O2
Molecular Weight
324.400000
Exact Mass
324.158626
InChI
InChI=1S/C18H20N4O2/c1-21(2)12-6-11-19-18-13-7-3-4-8-14(13)20-15-9-5-10-16(17(15)18)22(23)24/h3-5,7-10H,6,11-12H2,1-2H3,(H,19,20)
InChIKey
YMVWGSQGCWCDGW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
14
Fraction Csp3
0.28
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
97.56
TPSA
71.3
LogP / Solubility
WLOGP
3.66
MLOGP
3.24
XLogP3
3.7
Consensus LogP
3.53
Log S (ESOL)
-4.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.53
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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