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CAS 62924-66-7 (2-Chloro-6-fluoro-benzyl)-isopropyl-aMine molecular structure lightbox
CAS RN: 62924-66-7

(2-Chloro-6-fluoro-benzyl)-isopropyl-aMine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250524 100mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS62924-66-7
  • Purity/Analytical Methods: >99.0%
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62924-66-7 / N-[(2-chloro-6-fluorophenyl)methyl]propan-2-amine

Standard CAS: 62924-66-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
62924-66-7
Multi CAS
No
Molecular Formula
C10H13CLFN
Molecular Weight
201.670000
Exact Mass
201.072055
InChI
InChI=1S/C10H13ClFN/c1-7(2)13-6-8-9(11)4-3-5-10(8)12/h3-5,7,13H,6H2,1-2H3
InChIKey
SADAXVBAMOIPKG-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
53.39
TPSA
12.03

LogP / Solubility

WLOGP
2.98
MLOGP
2.62
XLogP3
2.8
Consensus LogP
2.8
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.8
Class (SILICOS-IT)
Poorly 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)
-1.84

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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