CAS RN: 625437-42-5

Cyclopropyl-(2,3-dichloro-benzyl)-aMine

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Batchno.20250928 100mg / 250mg / 1g / 5g / 10g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS625437-42-5
  • Purity/Analytical Methods: >99.0%
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625437-42-5 / N-[(2,3-dichlorophenyl)methyl]cyclopropanamine

Standard CAS: 625437-42-5 Multi CAS: Yes

Basic Information

CAS
625437-42-5
Multi CAS
Yes
Molecular Formula
C10H11CL2N
Molecular Weight
216.100000
Exact Mass
215.026855
InChI
InChI=1S/C10H11Cl2N/c11-9-3-1-2-7(10(9)12)6-13-8-4-5-8/h1-3,8,13H,4-6H2
InChIKey
KJYVKUQRRKDPAX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
56.32
TPSA
12.03

LogP / Solubility

WLOGP
3.25
MLOGP
2.86
XLogP3
3.1
Consensus LogP
3.07
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.12
Class (SILICOS-IT)
Slightly 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)
-1.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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