CAS RN: 1784303-38-3
1-(3,3-difluorocyclobutyl)ethan-1-ol
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.20250725 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1784303-38-3
- Purity/Analytical Methods: >99.0%
1784303-38-3 / 1-(3,3-difluorocyclobutyl)ethanol
Basic Information
CAS
1784303-38-3
Multi CAS
No
Molecular Formula
C6H10F2O
Molecular Weight
136.140000
Exact Mass
136.069971
SMILES
CC(C1CC(C1)(F)F)O
InChI
InChI=1S/C6H10F2O/c1-4(9)5-2-6(7,8)3-5/h4-5,9H,2-3H2,1H3
InChIKey
MOJVSYLIEDZMHB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
29.35
TPSA
20.23
LogP / Solubility
WLOGP
1.41
MLOGP
1.24
XLogP3
1.4
Consensus LogP
1.35
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.84
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)
-2.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Safety & Transport
Pictogram(s)
Flammable
Signal
Warning
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501
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