CAS RN: 156868-83-6
3-(3-FLUORO-PHENYL)-PROPAN-1-OL
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.20251227 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS156868-83-6
- Purity/Analytical Methods: >99.0%
156868-83-6 / 3-(3-fluorophenyl)propan-1-ol
Basic Information
CAS
156868-83-6
Multi CAS
No
Molecular Formula
C9H11FO
Molecular Weight
154.180000
Exact Mass
154.079393
SMILES
C1=CC(=CC(=C1)F)CCCO
InChI
InChI=1S/C9H11FO/c10-9-5-1-3-8(7-9)4-2-6-11/h1,3,5,7,11H,2,4,6H2
InChIKey
VXWCHEGRBQAVQL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
41.81
TPSA
20.23
LogP / Solubility
WLOGP
1.75
MLOGP
1.54
XLogP3
2
Consensus LogP
1.76
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
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
1.5
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![CAS 156886-85-0 N,N”-BIS[3-(ETHYLAMINO)PROPYL]PROPANE-1,3-DIAMINE TETRAHYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/156886-85-0.gif)
