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CAS 54225-75-1 (1R)-1-(4-ETHYLPHENYL)ETHANOL molecular structure lightbox
CAS RN: 54225-75-1

(1R)-1-(4-ETHYLPHENYL)ETHANOL

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251218 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS54225-75-1
  • Purity/Analytical Methods: >99.0%
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54225-75-1 / 1-(4-ethylphenyl)ethanol

Standard CAS: 54225-75-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
54225-75-1
Multi CAS
Yes
Molecular Formula
C10H14O
Molecular Weight
150.220000
Exact Mass
150.104465
InChI
InChI=1S/C10H14O/c1-3-9-4-6-10(7-5-9)8(2)11/h4-8,11H,3H2,1-2H3/t8-/m1/s1
InChIKey
HZFBZEOPUXCNHK-MRVPVSSYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
46.45
TPSA
20.23

LogP / Solubility

WLOGP
2.3
MLOGP
2.02
XLogP3
2.2
Consensus LogP
2.17
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.79
Class (SILICOS-IT)
Moderately 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)
-2

Drug-likeness / Medicinal Chemistry

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

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