CAS RN: 1234372-12-3
(1S)-2-bromo-1-(4-fluorophenyl)ethanol
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260419 | 1g / 5g / 10g | Confirm by inquiry | Shanghai | 3-5 business days | Inquiry |
- Product code: starshine_CAS1234372-12-3
- Purity/Analytical Methods: >99.0%
1234372-12-3 / (1S)-2-bromo-1-(4-fluorophenyl)ethanol
Basic Information
CAS
1234372-12-3
Multi CAS
No
Molecular Formula
C8H8BrFO
Molecular Weight
219.050000
Exact Mass
217.974260
SMILES
C1=CC(=CC=C1[C@@H](CBr)O)F
InChI
InChI=1S/C8H8BrFO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,11H,5H2/t8-/m1/s1
InChIKey
BLCAVFHRXRACAU-MRVPVSSYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.15
TPSA
20.23
LogP / Solubility
WLOGP
2.25
MLOGP
1.99
XLogP3
1.9
Consensus LogP
2.05
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.19
Class (SILICOS-IT)
Poorly 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)
-2.46
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
2
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