![CAS 164931-85-5 6-Oxa-3-azabicyclo[3.1.0]hexane, 3-(trifluoroacetyl)- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/164931-85-5.gif)
CAS RN: 164931-85-5
6-Oxa-3-azabicyclo[3.1.0]hexane, 3-(trifluoroacetyl)- (9CI)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260210 | 1g | Out of stock | Inquiry |
- Product code: SSC-072086
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 | Shanghai | Inquiry |
164931-85-5 / 2,2,2-trifluoro-1-(6-oxa-3-azabicyclo[3.1.0]hexan-3-yl)ethanone
Basic Information
CAS
164931-85-5
Multi CAS
No
Molecular Formula
C6H6F3NO2
Molecular Weight
181.110000
Exact Mass
181.035063
SMILES
C1C2C(O2)CN1C(=O)C(F)(F)F
InChI
InChI=1S/C6H6F3NO2/c7-6(8,9)5(11)10-1-3-4(2-10)12-3/h3-4H,1-2H2
InChIKey
RGGRKBLCFSQUSE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.83
H-bond acceptors
2
Molar refractivity
31.3
TPSA
32.84
LogP / Solubility
WLOGP
0.16
MLOGP
0.14
XLogP3
0.4
Consensus LogP
0.23
Log S (ESOL)
-1.06
Class (ESOL)
Soluble
Log S (Ali)
-1.16
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.97
Class (SILICOS-IT)
Very 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)
-3.71
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
2.5
Customers Also Viewed
-
-
2,2′-methylenebis[(4S)-4-isopropyl-2-oxazoline
- CAS RN: 164976-63-0
- Product Code: SSC-072101
-
-
Orcinol gentiobioside
- CAS RN: 164991-86-0
- Product Code: starshine_CAS164991-86-0
- Purity/Analytical method: >99.0%
-
segetalin B
- CAS RN: 164991-89-3
- Product Code: starshine_CAS164991-89-3
- Purity/Analytical method: >99.0%
-
