![CAS 1260228-95-2 11,11-Dimethyl-5,11-dihydroindeno[1,2-b]carbazole molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1260228-95-2.png)
CAS RN: 1260228-95-2
11,11-Dimethyl-5,11-dihydroindeno[1,2-b]carbazole
- Product code: SSC-031548
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1260228-95-2 / 11,11-dimethyl-5H-indeno[1,2-b]carbazole
Basic Information
CAS
1260228-95-2
Multi CAS
No
Molecular Formula
C21H17N
Molecular Weight
283.400000
Exact Mass
283.136100
SMILES
CC1(C2=CC=CC=C2C3=C1C=C4C5=CC=CC=C5NC4=C3)C
InChI
InChI=1S/C21H17N/c1-21(2)17-9-5-3-7-13(17)15-12-20-16(11-18(15)21)14-8-4-6-10-19(14)22-20/h3-12,22H,1-2H3
InChIKey
MVAOYMNWVVRUPL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
19
Fraction Csp3
0.14
H-bond donors
1
Molar refractivity
93.37
TPSA
15.79
LogP / Solubility
WLOGP
5.63
MLOGP
4.96
XLogP3
5.9
Consensus LogP
5.5
Log S (ESOL)
-5.78
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.17
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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