CAS RN: 1146080-51-4
Bis-(6-chloro-pyridin-3-ylMethyl)-cyclopropyl-aMine, 98+% C15H15Cl2N3, MW: 308.21
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.20260502 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1146080-51-4
- Purity/Analytical Methods: >99.0%
1146080-51-4 / N,N-bis[(6-chloro-3-pyridinyl)methyl]cyclopropanamine
Bis-(6-chloro-pyridin-3-ylmethyl)-cyclopropyl-amine | N,N-bis[(6-chloropyridin-3-yl)methyl]cyclopropanamine | N,N-bis[(6-chloro-3-pyridyl)methyl]cyclopropanamine
Basic Information
CAS
1146080-51-4
Multi CAS
No
Molecular Formula
C15H15Cl2N3
Molecular Weight
308.200000
Exact Mass
307.064303
SMILES
C1CC1N(CC2=CN=C(C=C2)Cl)CC3=CN=C(C=C3)Cl
InChI
InChI=1S/C15H15Cl2N3/c16-14-5-1-11(7-18-14)9-20(13-3-4-13)10-12-2-6-15(17)19-8-12/h1-2,5-8,13H,3-4,9-10H2
InChIKey
ZOCQQJSWOJQFRN-UHFFFAOYSA-N
Synonyms
Bis-(6-chloro-pyridin-3-ylmethyl)-cyclopropyl-amine
N,N-bis[(6-chloropyridin-3-yl)methyl]cyclopropanamine
N,N-bis[(6-chloro-3-pyridyl)methyl]cyclopropanamine
bis[(6-chloro(3-pyridyl))methyl]cyclopropylamine
DTXSID10671841
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
80.76
TPSA
29.02
LogP / Solubility
WLOGP
3.95
MLOGP
3.49
XLogP3
3.6
Consensus LogP
3.68
Log S (ESOL)
-4.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.54
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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