CAS RN: 229027-89-8
2-Bromo-4-fluorobenzyl Alcohol
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-111472
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 25g, 100g
- Available purity: ≥98%
- Inventory rows with stock: 1
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
229027-89-8 / (2-bromo-4-fluorophenyl)methanol
Basic Information
CAS
229027-89-8
Multi CAS
No
Molecular Formula
C7H6BrFO
Molecular Weight
205.020000
Exact Mass
203.958610
SMILES
C1=CC(=C(C=C1F)Br)CO
InChI
InChI=1S/C7H6BrFO/c8-7-3-6(9)2-1-5(7)4-10/h1-3,10H,4H2
InChIKey
XGAMLBPEVCLQEJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
40.02
TPSA
20.23
LogP / Solubility
WLOGP
2.08
MLOGP
1.83
XLogP3
1.8
Consensus LogP
1.9
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.84
Class (SILICOS-IT)
Moderately 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)
-2.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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