CAS RN: 156597-64-7
(S)-1-(5-fluoro-2-methoxyphenyl)ethan-1-ol
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251229 | 25mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-065657
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
156597-64-7 / (1S)-1-(5-fluoro-2-methoxyphenyl)ethanol
Basic Information
CAS
156597-64-7
Multi CAS
No
Molecular Formula
C9H11FO2
Molecular Weight
170.180000
Exact Mass
170.074308
SMILES
C[C@@H](C1=C(C=CC(=C1)F)OC)O
InChI
InChI=1S/C9H11FO2/c1-6(11)8-5-7(10)3-4-9(8)12-2/h3-6,11H,1-2H3/t6-/m0/s1
InChIKey
VLBOHPCLXJIASU-LURJTMIESA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.59
TPSA
29.46
LogP / Solubility
WLOGP
1.89
MLOGP
1.66
XLogP3
1.5
Consensus LogP
1.68
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
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
2
Customers Also Viewed
-
-
1-Bromo-2-ethoxy-4-(trifluoromethyl)benzene
- CAS RN: 156605-94-6
- Product Code: starshine_CAS156605-94-6
- Purity/Analytical method: >99.0%
-
Carbamic acid, [3-hydroxy-1-(hydroxymethyl)propyl]-, 1,1-dimethylethyl ester
- CAS RN: 156627-42-8
- Product Code: SSC-065704
-
-
-
![CAS 156627-42-8 Carbamic acid, [3-hydroxy-1-(hydroxymethyl)propyl]-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/156627-42-8.gif)
