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: 25g, 10g, 100g, 5g
- Available purity: >97%
- Inventory rows with stock: 3
- 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.
64695-78-9 / 1,2-dibromo-4,5-difluorobenzene
Basic Information
CAS
64695-78-9
Multi CAS
Yes
Molecular Formula
C6H2BR2F2
Molecular Weight
271.880000
Exact Mass
271.847080
InChI
InChI=1S/C6H2Br2F2/c7-3-1-5(9)6(10)2-4(3)8/h1-2H
InChIKey
JTEZQWOKRHOKDG-UHFFFAOYSA-N
Physical Properties
Physical Description
White crystalline solid; mp = 33-35 deg C
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
2
Molar refractivity
41.76
TPSA
0.0000
LogP / Solubility
WLOGP
3.49
MLOGP
3.08
XLogP3
3.5
Consensus LogP
3.36
Log S (ESOL)
-4.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.32
Class (SILICOS-IT)
Slightly 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)
-1.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
