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CAS 1510810-80-6 9H-Carbazole, 3,6-bis(1,1-dimethylethyl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- molecular structure lightbox
CAS RN: 1510810-80-6

9H-Carbazole, 3,6-bis(1,1-dimethylethyl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

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Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250521 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: starshine_CAS1510810-80-6
  • Purity/Analytical Methods: >99.0%
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1510810-80-6 / 3,6-ditert-butyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole

Standard CAS: 1510810-80-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1510810-80-6
Multi CAS
No
Molecular Formula
C26H36BNO2
Molecular Weight
405.400000
Exact Mass
405.283910
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC3=C2NC4=C3C=C(C=C4)C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C26H36BNO2/c1-23(2,3)16-11-12-21-18(13-16)19-14-17(24(4,5)6)15-20(22(19)28-21)27-29-25(7,8)26(9,10)30-27/h11-15,28H,1-10H3
InChIKey
BDYVBMXZGUPTJL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
13
Fraction Csp3
0.54
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
128.92
TPSA
34.25

LogP / Solubility

WLOGP
6.22
MLOGP
5.49
XLogP3
6.22
Consensus LogP
5.98
Log S (ESOL)
-6.52
Class (ESOL)
Insoluble
Log S (Ali)
-7.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.57
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)
-0.78

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

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