CAS RN: 886615-32-3
3-Bromo-6-chloro-2-fluorobenzylbromide
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.20250915 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS886615-32-3
- Purity/Analytical Methods: >99.0%
886615-32-3 / 1-bromo-3-(bromomethyl)-4-chloro-2-fluorobenzene
Basic Information
CAS
886615-32-3
Multi CAS
No
Molecular Formula
C7H4BR2CLF
Molecular Weight
302.360000
Exact Mass
301.833180
InChI
InChI=1S/C7H4Br2ClF/c8-3-4-6(10)2-1-5(9)7(4)11/h1-2H,3H2
InChIKey
NXGGPRJWFMRICP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
51.74
TPSA
0.0000
LogP / Solubility
WLOGP
4.14
MLOGP
3.65
XLogP3
3.9
Consensus LogP
3.9
Log S (ESOL)
-4.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.18
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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