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CAS 467219-11-0 2,2′-(9H-fluorene-2,6-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane) molecular structure lightbox
CAS RN: 467219-11-0

2,2′-(9H-fluorene-2,6-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)

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Batchno.20250520 100mg Out of stock Inquiry
Batchno.20250613 250mg Out of stock Inquiry
  • Product code: starshine_CAS467219-11-0
  • Purity/Analytical Methods: >99.0%
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467219-11-0 / 4,4,5,5-tetramethyl-2-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-fluoren-2-yl]-1,3,2-dioxaborolane

Standard CAS: 467219-11-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
467219-11-0
Multi CAS
Yes
Molecular Formula
B2C25H32O4
Molecular Weight
418.100000
Exact Mass
418.248670
InChI
InChI=1S/C25H32B2O4/c1-22(2)23(3,4)29-26(28-22)18-9-11-20-16(14-18)13-17-15-19(10-12-21(17)20)27-30-24(5,6)25(7,8)31-27/h9-12,14-15H,13H2,1-8H3
InChIKey
KGUOBHHBYYHMFX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.52
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
126.12
TPSA
36.92

LogP / Solubility

WLOGP
3.86
MLOGP
3.42
XLogP3
3.86
Consensus LogP
3.71
Log S (ESOL)
-5.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.82
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
Yes
Log Kp (skin permeation)
-2.53

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
3.5

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