CAS RN: 1240520-37-9
Benzene, 1-(2-bromo-2-methylpropyl)-4-fluoro-
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.20260528 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1240520-37-9
- Purity/Analytical Methods: >99.0%
1240520-37-9 / 1-(2-bromo-2-methylpropyl)-4-fluorobenzene
Basic Information
CAS
1240520-37-9
Multi CAS
No
Molecular Formula
C10H12BrF
Molecular Weight
231.100000
Exact Mass
230.010640
SMILES
CC(C)(CC1=CC=C(C=C1)F)Br
InChI
InChI=1S/C10H12BrF/c1-10(2,11)7-8-3-5-9(12)6-4-8/h3-6H,7H2,1-2H3
InChIKey
NSPDOHKFBWOKGZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
53.11
TPSA
0.0000
LogP / Solubility
WLOGP
3.54
MLOGP
3.12
XLogP3
3.8
Consensus LogP
3.49
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.34
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)
-1.62
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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