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CAS 1185317-87-6 4-Amino-2-(n-propyl-d7)-pyridine molecular structure lightbox
CAS RN: 1185317-87-6

4-Amino-2-(n-propyl-d7)-pyridine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250920 1mg / 5mg Out of stock 5-7 business days Inquiry
  • Product code: LINA889845
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1185317-87-6 / 2-(1,1,2,2,3,3,3-heptadeuteriopropyl)pyridin-4-amine

4-Amino-2-(n-propyl-d7)pyridine | 4-Amino-2-(n-propyl-d7)-pyridine | AKOS015944945

Standard CAS: 1185317-87-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1185317-87-6
Multi CAS
No
Molecular Formula
C8H12N2
Molecular Weight
143.240000
Exact Mass
143.143986
SMILES
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C1=NC=CC(=C1)N
InChI
InChI=1S/C8H12N2/c1-2-3-8-6-7(9)4-5-10-8/h4-6H,2-3H2,1H3,(H2,9,10)/i1D3,2D2,3D2
InChIKey
BJIPSHWHXCSHDD-NCKGIQLSSA-N
Synonyms
4-Amino-2-(n-propyl-d7)pyridine 4-Amino-2-(n-propyl-d7)-pyridine AKOS015944945 CS-17679

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.64
TPSA
38.91

LogP / Solubility

WLOGP
1.62
MLOGP
1.41
XLogP3
1.4
Consensus LogP
1.48
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.84
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.13
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)
-2.4

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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