CAS RN: 24007-66-7
N-(p-Aminobenzyl)aniline
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250628 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS24007-66-7
- Purity/Analytical Methods: >99.0%
24007-66-7 / 4-(anilinomethyl)aniline
Basic Information
CAS
24007-66-7
Multi CAS
No
Molecular Formula
C13H14N2
Molecular Weight
198.260000
Exact Mass
198.115698
SMILES
C1=CC=C(C=C1)NCC2=CC=C(C=C2)N
InChI
InChI=1S/C13H14N2/c14-12-8-6-11(7-9-12)10-15-13-4-2-1-3-5-13/h1-9,15H,10,14H2
InChIKey
NLONWIQMGNPYEZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
64.62
TPSA
38.05
LogP / Solubility
WLOGP
2.88
MLOGP
2.53
XLogP3
2.4
Consensus LogP
2.6
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.7
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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