![CAS 1257220-52-2 Indeno[2,1-b]carbazole, 5,7-dihydro-7,7-diphenyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1257220-52-2.gif)
CAS RN: 1257220-52-2
Indeno[2,1-b]carbazole, 5,7-dihydro-7,7-diphenyl-
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.20251014 | 25g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1257220-52-2
- Purity/Analytical Methods: >99.0%
1257220-52-2 / 7,7-diphenyl-5H-indeno[2,1-b]carbazole
Basic Information
CAS
1257220-52-2
Multi CAS
No
Molecular Formula
C31H21N
Molecular Weight
407.500000
Exact Mass
407.167400
SMILES
C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=C2C=C5C(=C4)C6=CC=CC=C6N5)C7=CC=CC=C7
InChI
InChI=1S/C31H21N/c1-3-11-21(12-4-1)31(22-13-5-2-6-14-22)27-17-9-7-15-23(27)25-19-26-24-16-8-10-18-29(24)32-30(26)20-28(25)31/h1-20,32H
InChIKey
XIVGVZAODOUFIB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
31
Fraction Csp3
0.03
Rotatable bonds
2
H-bond donors
1
Molar refractivity
133.11
TPSA
15.79
LogP / Solubility
WLOGP
7.68
MLOGP
6.79
XLogP3
8.1
Consensus LogP
7.52
Log S (ESOL)
-7.79
Class (ESOL)
Insoluble
Log S (Ali)
-8.45
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.93
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)
0.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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