CAS RN: 467235-09-2
4-amino-3-ethylamino-benzonitrile
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260106 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINA927139
467235-09-2 / 4-amino-3-(ethylamino)benzonitrile
Basic Information
CAS
467235-09-2
Multi CAS
No
Molecular Formula
C9H11N3
Molecular Weight
161.200000
Exact Mass
161.095297
InChI
InChI=1S/C9H11N3/c1-2-12-9-5-7(6-10)3-4-8(9)11/h3-5,12H,2,11H2,1H3
InChIKey
PCEBMLYZJQUZKL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
49.73
TPSA
61.84
LogP / Solubility
WLOGP
1.57
MLOGP
1.38
XLogP3
1.3
Consensus LogP
1.42
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.02
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.25
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)
-2.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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