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CAS 864754-47-2 2-[4-(2-FLUORO-ETHOXY)-PHENYL]-4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLANE molecular structure lightbox
CAS RN: 864754-47-2

2-[4-(2-FLUORO-ETHOXY)-PHENYL]-4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLANE

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250810 100mg In stock Shanghai Inquiry
Batchno.20260113 1g Out of stock Inquiry
Batchno.20260613 250mg In stock Shanghai Inquiry
Batchno.20260419 5g Out of stock Inquiry
  • Product code: starshine_CAS864754-47-2
  • Purity/Analytical Methods: >99.0%
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864754-47-2 / 2-[4-(2-fluoroethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Standard CAS: 864754-47-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
864754-47-2
Multi CAS
Yes
Molecular Formula
BC14FH20O3
Molecular Weight
266.120000
Exact Mass
266.148953
InChI
InChI=1S/C14H20BFO3/c1-13(2)14(3,4)19-15(18-13)11-5-7-12(8-6-11)17-10-9-16/h5-8H,9-10H2,1-4H3
InChIKey
RJQFPXYMWQGKNI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
73.63
TPSA
27.69

LogP / Solubility

WLOGP
2.33
MLOGP
2.06
XLogP3
2.33
Consensus LogP
2.24
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
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)
-2.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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