CAS RN: 957120-30-8
3-Bromo-6-fluoro-2-methoxyphenylboronic acid
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-211334
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
957120-30-8 / (3-bromo-6-fluoro-2-methoxyphenyl)boronic acid
Basic Information
CAS
957120-30-8
Multi CAS
No
Molecular Formula
B2C7H7O3Rf
Molecular Weight
248.840000
Exact Mass
247.965560
InChI
InChI=1S/C7H7BBrFO3/c1-13-7-4(9)2-3-5(10)6(7)8(11)12/h2-3,11-12H,1H3
InChIKey
YJEJISGIPNUDBB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
50.48
TPSA
49.69
LogP / Solubility
WLOGP
0.28
MLOGP
0.25
XLogP3
0.28
Consensus LogP
0.27
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.75
Class (SILICOS-IT)
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)
-4.04
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
1.5
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