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CAS 1357634-60-6 9-[2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9H-carbazole molecular structure lightbox
CAS RN: 1357634-60-6

9-[2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9H-carbazole

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250122 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1357634-60-6
  • Purity/Analytical Methods: >99.0%
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1357634-60-6 / 9-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole

Standard CAS: 1357634-60-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1357634-60-6
Multi CAS
No
Molecular Formula
C24H24BNO2
Molecular Weight
369.300000
Exact Mass
369.190009
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2N3C4=CC=CC=C4C5=CC=CC=C53
InChI
InChI=1S/C24H24BNO2/c1-23(2)24(3,4)28-25(27-23)19-13-7-10-16-22(19)26-20-14-8-5-11-17(20)18-12-6-9-15-21(18)26/h5-16H,1-4H3
InChIKey
KQQUPCGBWUTWMK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
19
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
116.5
TPSA
23.39

LogP / Solubility

WLOGP
5.08
MLOGP
4.49
XLogP3
5.08
Consensus LogP
4.88
Log S (ESOL)
-5.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.26
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.52
Class (SILICOS-IT)
Insoluble

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)
-1.36

Drug-likeness / Medicinal Chemistry

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

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