CAS RN: 1111096-08-2
5-BROMO-2-FLUORO-4-METHOXYPHENOL
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.20250801 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1111096-08-2
- Purity/Analytical Methods: >99.0%
1111096-08-2 / 5-bromo-2-fluoro-4-methoxyphenol
5-BROMO-2-FLUORO-4-METHOXYPHENOL | MFCD12405416 | SCHEMBL19737047
Basic Information
CAS
1111096-08-2
Multi CAS
No
Molecular Formula
C7H6BrFO2
Molecular Weight
221.020000
Exact Mass
219.953520
SMILES
COC1=C(C=C(C(=C1)F)O)Br
InChI
InChI=1S/C7H6BrFO2/c1-11-7-3-5(9)6(10)2-4(7)8/h2-3,10H,1H3
InChIKey
UOYXPWBIQQRHLA-UHFFFAOYSA-N
Synonyms
5-BROMO-2-FLUORO-4-METHOXYPHENOL
MFCD12405416
SCHEMBL19737047
SCHEMBL31009334
5-bromo-2-fluoro-4-methoxy-phenol
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.32
TPSA
29.46
LogP / Solubility
WLOGP
2.3
MLOGP
2.03
XLogP3
2.3
Consensus LogP
2.21
Log S (ESOL)
-3
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.13
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)
-2.43
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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