CAS RN: 1185317-74-1
2-Amino-5-(iso-propyl-d7)-pyridine
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260417 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINA889841
1185317-74-1 / 5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyridin-2-amine
2-Amino-5-(iso-propyl-d7)pyridine | 2-Amino-5-(iso-propyl-d7)-pyridine | AKOS015944942
Basic Information
CAS
1185317-74-1
Multi CAS
No
Molecular Formula
C8H12N2
Molecular Weight
143.240000
Exact Mass
143.143986
SMILES
[2H]C([2H])([2H])C([2H])(C1=CN=C(C=C1)N)C([2H])([2H])[2H]
InChI
InChI=1S/C8H12N2/c1-6(2)7-3-4-8(9)10-5-7/h3-6H,1-2H3,(H2,9,10)/i1D3,2D3,6D
InChIKey
GXSWKKZGLOYAPE-NWOXSKRJSA-N
Synonyms
2-Amino-5-(iso-propyl-d7)pyridine
2-Amino-5-(iso-propyl-d7)-pyridine
AKOS015944942
CS-17676
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.74
TPSA
38.91
LogP / Solubility
WLOGP
1.79
MLOGP
1.57
XLogP3
1.8
Consensus LogP
1.72
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.97
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.15
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)
-2.28
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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