Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 25g, 10g, 0.1g, 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 8
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | -- | 5 In Stock | Hong Kong | Inquiry |
| 1g | ≥95% | 5 In Stock | Shenzhen | Inquiry |
| 5g | -- | 5 In Stock | Hong Kong | Inquiry |
| 5g | ≥95% | 5 In Stock | Hong Kong | Inquiry |
| 25g | -- | 4 In Stock | Shanghai | Inquiry |
| 25g | ≥95% | 4 In Stock | Shanghai | Inquiry |
| 10g | -- | 3 In Stock | Shenzhen | Inquiry |
| 10g | ≥95% | 3 In Stock | Shanghai | Inquiry |
| 0.1g | -- | 0 Out of Stock | Shanghai | Inquiry |
| 0.1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
| 0.25g | -- | 0 Out of Stock | Shenzhen | Inquiry |
| 0.25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
133077-41-5 / 3-(3-fluorophenoxy)propan-1-ol
Basic Information
CAS
133077-41-5
Multi CAS
No
Molecular Formula
C9H11FO2
Molecular Weight
170.180000
Exact Mass
170.074308
SMILES
C1=CC(=CC(=C1)F)OCCCO
InChI
InChI=1S/C9H11FO2/c10-8-3-1-4-9(7-8)12-6-2-5-11/h1,3-4,7,11H,2,5-6H2
InChIKey
PEUTYYUKCAHEOK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.6
TPSA
29.46
LogP / Solubility
WLOGP
1.59
MLOGP
1.39
XLogP3
1.7
Consensus LogP
1.56
Log S (ESOL)
-2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
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)
-2.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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