CAS RN: 1228956-98-6
3-(Benzyloxy)-6-bromo-2-fluorophenol
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.20250204 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1228956-98-6
- Purity/Analytical Methods: >99.0%
1228956-98-6 / 6-bromo-2-fluoro-3-phenylmethoxyphenol
Basic Information
CAS
1228956-98-6
Multi CAS
No
Molecular Formula
C13H10BrFO2
Molecular Weight
297.120000
Exact Mass
295.984820
SMILES
C1=CC=C(C=C1)COC2=C(C(=C(C=C2)Br)O)F
InChI
InChI=1S/C13H10BrFO2/c14-10-6-7-11(12(15)13(10)16)17-8-9-4-2-1-3-5-9/h1-7,16H,8H2
InChIKey
WDWMIQICZJPVHB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
66.54
TPSA
29.46
LogP / Solubility
WLOGP
3.87
MLOGP
3.42
XLogP3
3.8
Consensus LogP
3.7
Log S (ESOL)
-4.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.79
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.17
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.78
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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