CAS RN: 194423-47-7
O-TOLUIDINE-D9
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.20260520 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS194423-47-7
- Purity/Analytical Methods: >99.0%
194423-47-7 / N,N,2,3,4,5-hexadeuterio-6-(trideuteriomethyl)aniline
Basic Information
CAS
194423-47-7
Multi CAS
No
Molecular Formula
C7H9N
Molecular Weight
116.210000
Exact Mass
116.129990
SMILES
[2H]C1=C(C(=C(C(=C1[2H])C([2H])([2H])[2H])N([2H])[2H])[2H])[2H]
InChI
InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3/i1D3,2D,3D,4D,5D/hD2
InChIKey
RNVCVTLRINQCPJ-LLZDZVHOSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
1
H-bond donors
1
Molar refractivity
35.59
TPSA
26.02
LogP / Solubility
WLOGP
1.58
MLOGP
1.38
XLogP3
1.3
Consensus LogP
1.42
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.58
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.67
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)
-2.25
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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