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CAS 1642330-73-1 11,12-Dihydro-11-(1,1-dipheny-3-yl)-indolo[2,3-a]carbazole molecular structure lightbox
CAS RN: 1642330-73-1

11,12-Dihydro-11-(1,1-dipheny-3-yl)-indolo[2,3-a]carbazole

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250511 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1642330-73-1
  • Purity/Analytical Methods: >99.0%
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1642330-73-1 / 2-phenyl-4-(4-phenylphenyl)-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine

Standard CAS: 1642330-73-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1642330-73-1
Multi CAS
No
Molecular Formula
C33H30BN3O2
Molecular Weight
511.400000
Exact Mass
511.243107
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3=NC(=NC(=N3)C4=CC=CC=C4)C5=CC=C(C=C5)C6=CC=CC=C6
InChI
InChI=1S/C33H30BN3O2/c1-32(2)33(3,4)39-34(38-32)28-21-19-27(20-22-28)31-36-29(25-13-9-6-10-14-25)35-30(37-31)26-17-15-24(16-18-26)23-11-7-5-8-12-23/h5-22H,1-4H3
InChIKey
IMJGUNDFOGVOPP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
30
Fraction Csp3
0.18
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
157.29
TPSA
57.13

LogP / Solubility

WLOGP
6.84
MLOGP
6.06
XLogP3
6.84
Consensus LogP
6.58
Log S (ESOL)
-7.56
Class (ESOL)
Insoluble
Log S (Ali)
-8.69
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.26
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.98

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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