CAS RN: 167750-79-0
BENZYL-D7-AMINE
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.20251011 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS167750-79-0
- Purity/Analytical Methods: >99.0%
167750-79-0 / dideuterio-(2,3,4,5,6-pentadeuteriophenyl)methanamine
Basic Information
CAS
167750-79-0
Multi CAS
No
Molecular Formula
C7H9N
Molecular Weight
114.200000
Exact Mass
114.117437
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])C([2H])([2H])N)[2H])[2H]
InChI
InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2/i1D,2D,3D,4D,5D,6D2
InChIKey
WGQKYBSKWIADBV-XZJKGWKKSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
34.33
TPSA
26.02
LogP / Solubility
WLOGP
1.15
MLOGP
1
XLogP3
1.1
Consensus LogP
1.08
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-1.27
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.43
Class (SILICOS-IT)
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)
-2.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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