![CAS 96847-53-9 (1S,5R)-1-Phenyl-3-oxabicyclo[3.1.0]hexan-2-one molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/45179000.png)
CAS RN: 96847-53-9
(1S,5R)-1-Phenyl-3-oxabicyclo[3.1.0]hexan-2-one
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251115 | 100g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20251101 | 10g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20250919 | 1g | Out of stock | Inquiry | |
| Batchno.20260430 | 250mg | In stock | Shenzhen | Inquiry |
| Batchno.20260303 | 25g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20260222 | 5g | In stock | Shanghai, Tianjin | Inquiry |
- Product code: SSC-212121
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: 25g
- 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 |
|---|---|---|---|---|
| 25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
96847-53-9 / (1S,5R)-1-phenyl-3-oxabicyclo[3.1.0]hexan-2-one
Basic Information
CAS
96847-53-9
Multi CAS
Yes
Molecular Formula
C11H10O2
Molecular Weight
174.200000
Exact Mass
174.068080
InChI
InChI=1S/C11H10O2/c12-10-11(6-9(11)7-13-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2/t9-,11+/m0/s1
InChIKey
WZGFIZUMKYUMRN-GXSJLCMTSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
47.19
TPSA
26.3
LogP / Solubility
WLOGP
1.5
MLOGP
1.32
XLogP3
1.7
Consensus LogP
1.51
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.16
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)
-2.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
-
-
(2′,3′,5′,6′-Tetrahydro-1’H-[2,4′]bipyridinyl-4′-yl)-methanol
- CAS RN: 853576-50-8
- Product Code: LINT927304
-
(2,2-Dimethyl-1,3-dioxolan-4-yl)methanamine hydrochloride
- CAS RN: 167301-82-8
- Product Code: SSC-072983
-
-
1-(2,4-DICHLOROLPHENYL)-2-(1H-1,2,4-TRIAZOLE-1-YL)-ETHANONE
- CAS RN: 58905-16-1
- Product Code: SSC-167271
![CAS 853576-50-8 (2′,3′,5′,6′-Tetrahydro-1’H-[2,4′]bipyridinyl-4′-yl)-methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/853576-50-8.png)
