![CAS 2159132-86-0 Indolo[2,3-c]carbazole, 5-(4-[1,1′-biphenyl]-4-yl-2-quinazolinyl)-5,8-dihydro-8-phenyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2159132-86-0.png)
CAS RN: 2159132-86-0
Indolo[2,3-c]carbazole, 5-(4-[1,1′-biphenyl]-4-yl-2-quinazolinyl)-5,8-dihydro-8-phenyl-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251112 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2159132-86-0
- Purity/Analytical Methods: >99.0%
2159132-86-0 / 9-phenyl-14-[4-(4-phenylphenyl)quinazolin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
Basic Information
CAS
2159132-86-0
Multi CAS
No
Molecular Formula
C44H28N4
Molecular Weight
612.700000
Exact Mass
612.231397
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NC4=CC=CC=C43)N5C6=C(C7=CC=CC=C75)C8=C(C=C6)N(C9=CC=CC=C98)C1=CC=CC=C1
InChI
InChI=1S/C44H28N4/c1-3-13-29(14-4-1)30-23-25-31(26-24-30)43-33-17-7-10-20-36(33)45-44(46-43)48-38-22-12-9-19-35(38)42-40(48)28-27-39-41(42)34-18-8-11-21-37(34)47(39)32-15-5-2-6-16-32/h1-28H
InChIKey
YVQFZWONVSMZFO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
48
Aromatic heavy atom count
48
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
199.09
TPSA
35.64
LogP / Solubility
WLOGP
11.16
MLOGP
9.87
XLogP3
11.3
Consensus LogP
10.78
Log S (ESOL)
-11.14
Class (ESOL)
Insoluble
Log S (Ali)
-12.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.38
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)
1.46
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7.5
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