CAS RN: 6425-46-3
4-(4-NITROBENZYL)MORPHOLINE
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.20250425 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS6425-46-3
- Purity/Analytical Methods: >99.0%
6425-46-3 / 4-[(4-nitrophenyl)methyl]morpholine
Basic Information
CAS
6425-46-3
Multi CAS
Yes
Molecular Formula
C11H14N2O3
Molecular Weight
222.240000
Exact Mass
222.100442
InChI
InChI=1S/C11H14N2O3/c14-13(15)11-3-1-10(2-4-11)9-12-5-7-16-8-6-12/h1-4H,5-9H2
InChIKey
KNTGXGBOYZAKTA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
59.19
TPSA
55.61
LogP / Solubility
WLOGP
1.43
MLOGP
1.26
XLogP3
1.4
Consensus LogP
1.36
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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