CAS RN: 147804-02-2
4-BROMO-1,1-DIFLUOROBUT-1-ENE
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.20250818 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS147804-02-2
- Purity/Analytical Methods: >99.0%
147804-02-2 / 4-bromo-1,1-difluorobut-1-ene
Basic Information
CAS
147804-02-2
Multi CAS
No
Molecular Formula
C4H5BrF2
Molecular Weight
170.980000
Exact Mass
169.954270
SMILES
C(CBr)C=C(F)F
InChI
InChI=1S/C4H5BrF2/c5-3-1-2-4(6)7/h2H,1,3H2
InChIKey
WSIDFIREQDHYPW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
28.71
TPSA
0.0000
LogP / Solubility
WLOGP
2.55
MLOGP
2.24
XLogP3
2.2
Consensus LogP
2.33
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.13
Class (SILICOS-IT)
Poorly 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)
-1.95
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
1.5
Safety & Transport
Pictogram(s)
Flammable
Irritant
Signal
Warning
GHS Hazard Statements
H226 (66.7%): Flammable liquid and vapor [Warning Flammable liquids]
H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501
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