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CAS 66949-81-3 9-CHLORO-7-FLUORO-1,2,3,4-TETRAHYDRO-ACRIDINE molecular structure lightbox
CAS RN: 66949-81-3

9-CHLORO-7-FLUORO-1,2,3,4-TETRAHYDRO-ACRIDINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260207 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS66949-81-3
  • Purity/Analytical Methods: >99.0%
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66949-81-3 / 9-chloro-7-fluoro-1,2,3,4-tetrahydroacridine

Standard CAS: 66949-81-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
66949-81-3
Multi CAS
No
Molecular Formula
C13H11CLFN
Molecular Weight
235.680000
Exact Mass
235.056405
InChI
InChI=1S/C13H11ClFN/c14-13-9-3-1-2-4-11(9)16-12-6-5-8(15)7-10(12)13/h5-7H,1-4H2
InChIKey
RPANWYSQFQHEEP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.31
H-bond acceptors
1
Molar refractivity
63.35
TPSA
12.89

LogP / Solubility

WLOGP
3.91
MLOGP
3.44
XLogP3
4.1
Consensus LogP
3.82
Log S (ESOL)
-4.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.43
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.38

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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