CAS RN: 261762-88-3
6-CHLORO-2-FLUORO-3-METHYLBENZYL BROMIDE
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250622 | 50mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS261762-88-3
- Purity/Analytical Methods: >99.0%
261762-88-3 / 2-(bromomethyl)-1-chloro-3-fluoro-4-methylbenzene
Basic Information
CAS
261762-88-3
Multi CAS
No
Molecular Formula
C8H7BRCLF
Molecular Weight
237.490000
Exact Mass
235.940370
InChI
InChI=1S/C8H7BrClF/c1-5-2-3-7(10)6(4-9)8(5)11/h2-3H,4H2,1H3
InChIKey
QWQVTYYKMSFGGP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
48.78
TPSA
0.0000
LogP / Solubility
WLOGP
3.68
MLOGP
3.25
XLogP3
3.6
Consensus LogP
3.51
Log S (ESOL)
-3.97
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.38
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)
-1.55
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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