CAS RN: 1643538-16-2
4-Cyclopropylamino(benzene-d4)
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.20250721 | 1mg / 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINC889951
1643538-16-2 / 4-cyclopropyl-2,3,5,6-tetradeuterioaniline
Basic Information
CAS
1643538-16-2
Multi CAS
No
Molecular Formula
C9H11N
Molecular Weight
137.210000
Exact Mass
137.114256
SMILES
[2H]C1=C(C(=C(C(=C1C2CC2)[2H])[2H])N)[2H]
InChI
InChI=1S/C9H11N/c10-9-5-3-8(4-6-9)7-1-2-7/h3-7H,1-2,10H2/i3D,4D,5D,6D
InChIKey
UBXDNWVNEZBDBN-LNFUJOGGSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
42.83
TPSA
26.02
LogP / Solubility
WLOGP
2.15
MLOGP
1.88
XLogP3
2
Consensus LogP
2.01
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
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)
-2.01
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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