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CAS 1159817-43-2 6-cyclobutylpyridin-2-aMine molecular structure lightbox
CAS RN: 1159817-43-2

6-cyclobutylpyridin-2-aMine

  • Product code: SSC-015886
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1159817-43-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1159817-43-2 / 6-cyclobutylpyridin-2-amine

6-cyclobutylpyridin-2-amine | MFCD12032862 | 2-Amino-6-cyclobutylpyridine

Standard CAS: 1159817-43-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1159817-43-2
Multi CAS
No
Molecular Formula
C9H12N2
Molecular Weight
148.200000
Exact Mass
148.100048
SMILES
C1CC(C1)C2=NC(=CC=C2)N
InChI
InChI=1S/C9H12N2/c10-9-6-2-5-8(11-9)7-3-1-4-7/h2,5-7H,1,3-4H2,(H2,10,11)
InChIKey
FWGDQVVMZAPJRK-UHFFFAOYSA-N
Synonyms
6-cyclobutylpyridin-2-amine MFCD12032862 2-Amino-6-cyclobutylpyridine SCHEMBL15091015 FWGDQVVMZAPJRK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.24
TPSA
38.91

LogP / Solubility

WLOGP
1.93
MLOGP
1.69
XLogP3
1.6
Consensus LogP
1.74
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.17
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
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)
-2.25

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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