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: 5g, 10g, 25g, 100g
- Available purity: ≥95%
- Inventory rows with stock: 4
- 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.
78239-71-1 / 2-bromo-4-(bromomethyl)-1-fluorobenzene
Basic Information
CAS
78239-71-1
Multi CAS
No
Molecular Formula
C7H5BR2F
Molecular Weight
267.920000
Exact Mass
267.872150
InChI
InChI=1S/C7H5Br2F/c8-4-5-1-2-7(10)6(9)3-5/h1-3H,4H2
InChIKey
ZRWSODQPUJMFRV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
46.73
TPSA
0.0000
LogP / Solubility
WLOGP
3.48
MLOGP
3.07
XLogP3
3.3
Consensus LogP
3.28
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.41
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)
-1.88
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
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4-Bromo-2-fluorobenzyl Chloride
- CAS RN: 85510-82-3
- Product Code: ICTB2841
- Purity/Analytical method: >98.0%(GC)
