Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 10g, 5g
- Available purity: >97%
- Inventory rows with stock: 9
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | -- | 3 In Stock | Hong Kong | Inquiry |
| 0.25g | -- | 3 In Stock | Hong Kong | Inquiry |
| 0.1g | >97% | 2 In Stock | Hong Kong | Inquiry |
| 0.25g | >97% | 2 In Stock | Shenzhen | Inquiry |
| 1g | -- | 2 In Stock | Beijing | Inquiry |
| 10g | -- | 2 In Stock | Beijing | Inquiry |
| 1g | >97% | 1 In Stock | Hong Kong | Inquiry |
| 5g | -- | 1 In Stock | Beijing | Inquiry |
| 5g | >97% | 1 In Stock | Beijing | Inquiry |
| 10g | >97% | 0 Out of Stock | Beijing | Inquiry |
77613-65-1 / 2-(bromomethyl)-1,1-difluorocyclopropane
Basic Information
CAS
77613-65-1
Multi CAS
Yes
Molecular Formula
BC4H5Rf2
Molecular Weight
170.980000
Exact Mass
169.954270
InChI
InChI=1S/C4H5BrF2/c5-2-3-1-4(3,6)7/h3H,1-2H2
InChIKey
TUDJNSKRXIUOAJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
26.85
TPSA
0.0000
LogP / Solubility
WLOGP
2.04
MLOGP
1.79
XLogP3
2
Consensus LogP
1.94
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
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)
-2.32
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
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