CAS RN: 925422-86-2
(4S)-4-(DIFLUOROMETHYL)-2,2-DIMETHYL-1,3-DIOXOLANE
- Product code: SSC-206239
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 | Hong Kong | Inquiry |
925422-86-2 / 4-(difluoromethyl)-2,2-dimethyl-1,3-dioxolane
Basic Information
CAS
925422-86-2
Multi CAS
Yes
Molecular Formula
C6F2H10O2
Molecular Weight
152.140000
Exact Mass
152.064886
InChI
InChI=1S/C6H10F2O2/c1-6(2)9-3-4(10-6)5(7)8/h4-5H,3H2,1-2H3
InChIKey
NCMCSESRXUFYGO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
30.91
TPSA
18.46
LogP / Solubility
WLOGP
1.4
MLOGP
1.23
XLogP3
1.3
Consensus LogP
1.31
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.93
Class (SILICOS-IT)
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)
-2.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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