CAS RN: 74474-31-0
N,N-DIETHYL-N’-1-NAPHTHYLETHYLENEDIAMINE OXALATE
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.20250319 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS74474-31-0
- Purity/Analytical Methods: >99.0%
74474-31-0 / N',N'-diethyl-N-naphthalen-1-ylethane-1,2-diamine;oxalic acid
Basic Information
CAS
74474-31-0
Multi CAS
Yes
Molecular Formula
C18H24N2O4
Molecular Weight
332.400000
Exact Mass
332.173607
InChI
InChI=1S/C16H22N2.C2H2O4/c1-3-18(4-2)13-12-17-16-11-7-9-14-8-5-6-10-15(14)16;3-1(4)2(5)6/h5-11,17H,3-4,12-13H2,1-2H3;(H,3,4)(H,5,6)
InChIKey
MNUSPWMHIHYMKM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
10
Fraction Csp3
0.33
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
95.5
TPSA
89.87
LogP / Solubility
WLOGP
2.75
MLOGP
2.44
XLogP3
2.75
Consensus LogP
2.65
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.82
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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