CAS RN: 1270394-92-7
1-(6-chloropyridin-3-yl)-1-cyclopropylmethanamine
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.20250829 | 50mg / 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1270394-92-7
- Purity/Analytical Methods: >99.0%
1270394-92-7 / (6-chloro-3-pyridinyl)-cyclopropylmethanamine
Basic Information
CAS
1270394-92-7
Multi CAS
No
Molecular Formula
C9H11ClN2
Molecular Weight
182.650000
Exact Mass
182.061076
SMILES
C1CC1C(C2=CN=C(C=C2)Cl)N
InChI
InChI=1S/C9H11ClN2/c10-8-4-3-7(5-12-8)9(11)6-1-2-6/h3-6,9H,1-2,11H2
InChIKey
MWQALYAFCWBUPX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
48.9
TPSA
38.91
LogP / Solubility
WLOGP
2.14
MLOGP
1.89
XLogP3
1.5
Consensus LogP
1.84
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
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)
-2.31
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
2
Customers Also Viewed
-
2-AMINO-2-(4-BROMO-2-CHLOROPHENYL)ETHAN-1-OL
- CAS RN: 1270402-49-7
- Product Code: starshine_CAS1270402-49-7
- Purity/Analytical method: >99.0%
-
-
-
-
-
