CAS RN: 1207428-92-9
4-Fluoro-2-methoxy-5-methylphenylboronic acid
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.20250403 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1207428-92-9
- Purity/Analytical Methods: >99.0%
1207428-92-9 / (4-fluoro-2-methoxy-5-methylphenyl)boronic acid
4-Fluoro-2-methoxy-5-methylphenylboronic acid | (4-Fluoro-2-methoxy-5-methylphenyl)boronic acid | MFCD18383901
Basic Information
CAS
1207428-92-9
Multi CAS
No
Molecular Formula
C8H10BFO3
Molecular Weight
183.970000
Exact Mass
184.070703
SMILES
B(C1=CC(=C(C=C1OC)F)C)(O)O
InChI
InChI=1S/C8H10BFO3/c1-5-3-6(9(11)12)8(13-2)4-7(5)10/h3-4,11-12H,1-2H3
InChIKey
OGBDEWYWLMIDPU-UHFFFAOYSA-N
Synonyms
4-Fluoro-2-methoxy-5-methylphenylboronic acid
(4-Fluoro-2-methoxy-5-methylphenyl)boronic acid
MFCD18383901
(4-Fluoro-2-methoxy-5-methylphenyl)boronicacid
SCHEMBL15010879
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
47.51
TPSA
49.69
LogP / Solubility
WLOGP
-0.18
MLOGP
-0.16
XLogP3
-0.18
Consensus LogP
-0.17
Log S (ESOL)
-1.08
Class (ESOL)
Soluble
Log S (Ali)
-0.94
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.95
Class (SILICOS-IT)
Very 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)
-3.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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