CAS RN: 1060811-72-4
1-(6-Chloro-pyridin-3-yl)-cyclopropylamine
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.20260624 | 50mg / 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1060811-72-4
- Purity/Analytical Methods: >99.0%
1060811-72-4 / 1-(6-chloro-3-pyridinyl)cyclopropan-1-amine
1-(6-CHLOROPYRIDIN-3-YL)CYCLOPROPAN-1-AMINE | 1-(6-CHLOROPYRIDIN-3-YL)CYCLOPROPANAMINE | MFCD13188883
Basic Information
CAS
1060811-72-4
Multi CAS
No
Molecular Formula
C8H9ClN2
Molecular Weight
168.620000
Exact Mass
168.045426
SMILES
C1CC1(C2=CN=C(C=C2)Cl)N
InChI
InChI=1S/C8H9ClN2/c9-7-2-1-6(5-11-7)8(10)3-4-8/h1-2,5H,3-4,10H2
InChIKey
OQZPWQZTUHATOH-UHFFFAOYSA-N
Synonyms
1-(6-CHLOROPYRIDIN-3-YL)CYCLOPROPAN-1-AMINE
1-(6-CHLOROPYRIDIN-3-YL)CYCLOPROPANAMINE
MFCD13188883
Cyclopropanamine, 1-(6-chloro-3-pyridinyl)-
1-(6-Chloro-3-pyridinyl)cyclopropanamine
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.35
TPSA
38.91
LogP / Solubility
WLOGP
1.68
MLOGP
1.48
XLogP3
1
Consensus LogP
1.39
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.27
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)
-2.55
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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