CAS RN: 31904-34-4
(+/-)-N,N-DIMETHYL-1-FERROCENYLETHYLAMINE
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.20250527 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS31904-34-4
- Purity/Analytical Methods: >99.0%
31904-34-4 / (+/-)-N,N-DIMETHYL-1-FERROCENYLETHYLAMINE
Basic Information
CAS
31904-34-4
Multi CAS
Yes
Molecular Formula
C14H19FEN+2
Molecular Weight
257.150000
Exact Mass
257.086685
InChI
InChI=1S/C9H14N.C5H5.Fe/c1-8(10(2)3)9-6-4-5-7-9;1-2-4-5-3-1;/h4-8H,1-3H3;1-5H;/q;;+2
InChIKey
GBUQFTGXDHYCCG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
67.25
TPSA
3.24
LogP / Solubility
WLOGP
2.95
MLOGP
2.6
XLogP3
2.95
Consensus LogP
2.83
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.8
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.02
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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