CAS RN: 1150271-76-3
2-Fluoro-4,5-dimethoxyphenylboronic acid,pinacol ester
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.20260413 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1150271-76-3
- Purity/Analytical Methods: >99.0%
1150271-76-3 / 2-(2-fluoro-4,5-dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
2-Fluoro-4,5-dimethoxyphenylboronic acid, pinacol ester | 2-(2-Fluoro-4,5-dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane | 2-Fluoro-4,5-dimethoxyphenylboronic acid pinacol ester
Basic Information
CAS
1150271-76-3
Multi CAS
Yes
Molecular Formula
C14H20BFO4
Molecular Weight
282.120000
Exact Mass
282.143867
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2F)OC)OC
InChI
InChI=1S/C14H20BFO4/c1-13(2)14(3,4)20-15(19-13)9-7-11(17-5)12(18-6)8-10(9)16/h7-8H,1-6H3
InChIKey
SMHDJMCPSMSTJD-UHFFFAOYSA-N
Synonyms
2-Fluoro-4,5-dimethoxyphenylboronic acid, pinacol ester
2-(2-Fluoro-4,5-dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
2-Fluoro-4,5-dimethoxyphenylboronic acid pinacol ester
MFCD12026083
1,3,2-Dioxaborolane, 2-(2-fluoro-4,5-dimethoxyphenyl)-4,4,5,5-tetramethyl-
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
75.22
TPSA
36.92
LogP / Solubility
WLOGP
2.14
MLOGP
1.89
XLogP3
2.14
Consensus LogP
2.06
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.42
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.63
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)
-2.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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