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CAS 152485-69-3 Benzeneethanol, 4-fluoro-alpha-methyl-, (R)- (9CI) molecular structure lightbox
CAS RN: 152485-69-3

Benzeneethanol, 4-fluoro-alpha-methyl-, (R)- (9CI)

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250530 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS152485-69-3
  • Purity/Analytical Methods: >99.0%
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152485-69-3 / (2R)-1-(4-fluorophenyl)propan-2-ol

Standard CAS: 152485-69-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
152485-69-3
Multi CAS
No
Molecular Formula
C9H11FO
Molecular Weight
154.180000
Exact Mass
154.079393
SMILES
C[C@H](CC1=CC=C(C=C1)F)O
InChI
InChI=1S/C9H11FO/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5,7,11H,6H2,1H3/t7-/m1/s1
InChIKey
AKJGNXCUDQDKEB-SSDOTTSWSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
41.78
TPSA
20.23

LogP / Solubility

WLOGP
1.75
MLOGP
1.53
XLogP3
2
Consensus LogP
1.76
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
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)
-2.42

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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