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CAS 1262414-96-9 2-(2′-FLUORO-4′-METHOXYPHENYL)PROPANE molecular structure lightbox
CAS RN: 1262414-96-9

2-(2′-FLUORO-4′-METHOXYPHENYL)PROPANE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250913 100mg / 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1262414-96-9
  • Purity/Analytical Methods: >99.0%
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1262414-96-9 / 2-fluoro-4-methoxy-1-propan-2-ylbenzene

Standard CAS: 1262414-96-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1262414-96-9
Multi CAS
No
Molecular Formula
C10H13FO
Molecular Weight
168.210000
Exact Mass
168.095043
SMILES
CC(C)C1=C(C=C(C=C1)OC)F
InChI
InChI=1S/C10H13FO/c1-7(2)9-5-4-8(12-3)6-10(9)11/h4-7H,1-3H3
InChIKey
NMJIACNUHDGPOP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
47.04
TPSA
9.23

LogP / Solubility

WLOGP
2.96
MLOGP
2.6
XLogP3
3.1
Consensus LogP
2.89
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
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)
-1.65

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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