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CAS 156570-11-5 Benzene, 2,4-difluoro-1-(1-methylethenyl)- (9CI) molecular structure lightbox
CAS RN: 156570-11-5

Benzene, 2,4-difluoro-1-(1-methylethenyl)- (9CI)

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251028 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS156570-11-5
  • Purity/Analytical Methods: >99.0%
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156570-11-5 / 2,4-difluoro-1-prop-1-en-2-ylbenzene

Standard CAS: 156570-11-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
156570-11-5
Multi CAS
No
Molecular Formula
C9H8F2
Molecular Weight
154.160000
Exact Mass
154.059407
SMILES
CC(=C)C1=C(C=C(C=C1)F)F
InChI
InChI=1S/C9H8F2/c1-6(2)8-4-3-7(10)5-9(8)11/h3-5H,1H2,2H3
InChIKey
XSROFNLUQOGWON-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
41.07
TPSA
0.0000

LogP / Solubility

WLOGP
3
MLOGP
2.63
XLogP3
3.5
Consensus LogP
3.04
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.27
Class (SILICOS-IT)
Poorly 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)
-1.53

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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