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CAS 5471-34-1 1-(2-chloronaphthalen-1-yl)ethanol molecular structure lightbox
CAS RN: 5471-34-1

1-(2-chloronaphthalen-1-yl)ethanol

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260619 25mg / 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: LINC906780
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5471-34-1 / 1-(2-chloronaphthalen-1-yl)ethanol

Standard CAS: 5471-34-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5471-34-1
Multi CAS
Yes
Molecular Formula
C12H11CLO
Molecular Weight
206.670000
Exact Mass
206.049843
InChI
InChI=1S/C12H11ClO/c1-8(14)12-10-5-3-2-4-9(10)6-7-11(12)13/h2-8,14H,1H3
InChIKey
RBMUFIBFLOCDCY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
59.59
TPSA
20.23

LogP / Solubility

WLOGP
3.55
MLOGP
3.12
XLogP3
3.3
Consensus LogP
3.32
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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