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CAS 856422-41-8 9-(2-Ethylhexyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole molecular structure lightbox
CAS RN: 856422-41-8

9-(2-Ethylhexyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260121 50mg Out of stock 5-7 business days Inquiry
  • Product code: ICTE1323
  • Purity/Analytical Methods: >98.0%(HPLC)
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856422-41-8 / 9-(2-ethylhexyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole

Standard CAS: 856422-41-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
856422-41-8
Multi CAS
No
Molecular Formula
BC26H36NO2
Molecular Weight
405.400000
Exact Mass
405.283910
InChI
InChI=1S/C26H36BNO2/c1-7-9-12-19(8-2)18-28-23-14-11-10-13-21(23)22-17-20(15-16-24(22)28)27-29-25(3,4)26(5,6)30-27/h10-11,13-17,19H,7-9,12,18H2,1-6H3
InChIKey
FJWSYCLXMVHHPL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
13
Fraction Csp3
0.54
Rotatable bonds
7
H-bond acceptors
3
Molar refractivity
128.47
TPSA
23.39

LogP / Solubility

WLOGP
6.31
MLOGP
5.58
XLogP3
6.31
Consensus LogP
6.07
Log S (ESOL)
-6.19
Class (ESOL)
Insoluble
Log S (Ali)
-7.44
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.37
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-0.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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