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CAS 141113-36-2 2-(2,4-Difluorophenyl)-2-propen-1-ol molecular structure lightbox
CAS RN: 141113-36-2

2-(2,4-Difluorophenyl)-2-propen-1-ol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260203 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS141113-36-2
  • Purity/Analytical Methods: >99.0%
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141113-36-2 / 2-(2,4-difluorophenyl)prop-2-en-1-ol

Standard CAS: 141113-36-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
141113-36-2
Multi CAS
No
Molecular Formula
C9H8F2O
Molecular Weight
170.160000
Exact Mass
170.054321
SMILES
C=C(CO)C1=C(C=C(C=C1)F)F
InChI
InChI=1S/C9H8F2O/c1-6(5-12)8-3-2-7(10)4-9(8)11/h2-4,12H,1,5H2
InChIKey
JONDTFNGQQZTDO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
42.48
TPSA
20.23

LogP / Solubility

WLOGP
1.97
MLOGP
1.73
XLogP3
2.3
Consensus LogP
2
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
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)
-2.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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