CAS RN: 886497-51-4
2,3-DICHLORO-6-FLUOROBENZYL BROMIDE
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.20251211 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS886497-51-4
- Purity/Analytical Methods: >99.0%
886497-51-4 / 3-(bromomethyl)-1,2-dichloro-4-fluorobenzene
Basic Information
CAS
886497-51-4
Multi CAS
No
Molecular Formula
C7H4BRCL2F
Molecular Weight
257.910000
Exact Mass
255.885750
InChI
InChI=1S/C7H4BrCl2F/c8-3-4-6(11)2-1-5(9)7(4)10/h1-2H,3H2
InChIKey
RXHTVFRUZNHYSD-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
49.05
TPSA
0.0000
LogP / Solubility
WLOGP
4.03
MLOGP
3.55
XLogP3
3.8
Consensus LogP
3.79
Log S (ESOL)
-4.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.8
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.43
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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