![CAS 94135-58-7 1-[5-fluoro-2-(oxiranylmethoxy)phenyl]butan-1-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/94135-58-7.gif)
CAS RN: 94135-58-7
1-[5-fluoro-2-(oxiranylmethoxy)phenyl]butan-1-one
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.20250223 | 50mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-208700
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: 0.1g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 0.1g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
94135-58-7 / 1-[5-fluoro-2-(oxiran-2-ylmethoxy)phenyl]butan-1-one
Basic Information
CAS
94135-58-7
Multi CAS
No
Molecular Formula
C13FH15O3
Molecular Weight
238.250000
Exact Mass
238.100523
InChI
InChI=1S/C13H15FO3/c1-2-3-12(15)11-6-9(14)4-5-13(11)17-8-10-7-16-10/h4-6,10H,2-3,7-8H2,1H3
InChIKey
ODMPDMZOLGOXHX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
60.87
TPSA
38.83
LogP / Solubility
WLOGP
2.59
MLOGP
2.28
XLogP3
2.2
Consensus LogP
2.36
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.08
Class (SILICOS-IT)
Slightly 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)
-2.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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