![CAS 1688661-75-7 2-[2-(Methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1688661-75-7.gif)
CAS RN: 1688661-75-7
2-[2-(Methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250723 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1688661-75-7
- Purity/Analytical Methods: >99.0%
1688661-75-7 / 2-[2-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Basic Information
CAS
1688661-75-7
Multi CAS
No
Molecular Formula
C14H21BO3
Molecular Weight
248.130000
Exact Mass
248.158375
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2COC
InChI
InChI=1S/C14H21BO3/c1-13(2)14(3,4)18-15(17-13)12-9-7-6-8-11(12)10-16-5/h6-9H,10H2,1-5H3
InChIKey
UZPLVCBMNLIZLC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
72.87
TPSA
27.69
LogP / Solubility
WLOGP
2.13
MLOGP
1.88
XLogP3
2.13
Consensus LogP
2.05
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.4
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)
-2.72
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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