![CAS 1355052-34-4 2-[4-(4-fluorophenoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1355052-34-4.gif)
CAS RN: 1355052-34-4
2-[4-(4-fluorophenoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250603 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1355052-34-4
- Purity/Analytical Methods: >99.0%
1355052-34-4 / 2-[4-(4-fluorophenoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Basic Information
CAS
1355052-34-4
Multi CAS
No
Molecular Formula
C18H20BFO3
Molecular Weight
314.200000
Exact Mass
314.148953
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)OC3=CC=C(C=C3)F
InChI
InChI=1S/C18H20BFO3/c1-17(2)18(3,4)23-19(22-17)13-5-9-15(10-6-13)21-16-11-7-14(20)8-12-16/h5-12H,1-4H3
InChIKey
KAYPYEFNCGPLIB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
88.63
TPSA
27.69
LogP / Solubility
WLOGP
3.92
MLOGP
3.46
XLogP3
3.92
Consensus LogP
3.77
Log S (ESOL)
-4.44
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.96
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.31
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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![CAS 1355094-04-0 1,3,2-Dioxaborolane, 2-[(1E)-2-(2-chlorophenyl)ethenyl]-4,4,5,5-tetramethyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1355094-04-0.gif)
