CAS RN: 1340425-85-5
1-(Cyclopropylmethoxy)-4-Fluorobenzene
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250825 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1340425-85-5
- Purity/Analytical Methods: >99.0%
1340425-85-5 / 1-(cyclopropylmethoxy)-4-fluorobenzene
Basic Information
CAS
1340425-85-5
Multi CAS
No
Molecular Formula
C10H11FO
Molecular Weight
166.190000
Exact Mass
166.079393
SMILES
C1CC1COC2=CC=C(C=C2)F
InChI
InChI=1S/C10H11FO/c11-9-3-5-10(6-4-9)12-7-8-1-2-8/h3-6,8H,1-2,7H2
InChIKey
LPEXOPMUORVVDU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
44.62
TPSA
9.23
LogP / Solubility
WLOGP
2.61
MLOGP
2.3
XLogP3
2.7
Consensus LogP
2.54
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
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)
-1.88
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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