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CAS RN: 1346600-28-9
4-AMinobenzaMidine-d4 Dihydrochloride
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.20260410 | 10mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1346600-28-9
- Purity/Analytical Methods: >99.0%
1346600-28-9 / 4-amino-2,3,5,6-tetradeuteriobenzenecarboximidamide
Basic Information
CAS
1346600-28-9
Multi CAS
No
Molecular Formula
C7H9N3
Molecular Weight
139.190000
Exact Mass
139.104754
SMILES
[2H]C1=C(C(=C(C(=C1C(=N)N)[2H])[2H])N)[2H]
InChI
InChI=1S/C7H9N3/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H3,9,10)/i1D,2D,3D,4D
InChIKey
WPANETAWYGDRLL-RHQRLBAQSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
3
Molar refractivity
41.87
TPSA
75.89
LogP / Solubility
WLOGP
0.55
MLOGP
0.48
XLogP3
-0.5
Consensus LogP
0.18
Log S (ESOL)
-1.4
Class (ESOL)
Soluble
Log S (Ali)
-1.07
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.12
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)
-3.15
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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