![CAS 1346645-54-2 5,12-Dihydro-12,12-dimethylindeno[1,2-c]carbazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1346645-54-2.gif)
CAS RN: 1346645-54-2
5,12-Dihydro-12,12-dimethylindeno[1,2-c]carbazole
Product Availability
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3 package records2 with current stock1 grade group
- Product code: starshine_CAS1346645-54-2
- Purity/Analytical Methods: >99.0%
1346645-54-2 / 12,12-dimethyl-5H-indeno[1,2-c]carbazole
Basic Information
CAS
1346645-54-2
Multi CAS
No
Molecular Formula
C21H17N
Molecular Weight
283.400000
Exact Mass
283.136100
SMILES
CC1(C2=CC=CC=C2C3=C1C4=C(C=C3)NC5=CC=CC=C54)C
InChI
InChI=1S/C21H17N/c1-21(2)16-9-5-3-7-13(16)14-11-12-18-19(20(14)21)15-8-4-6-10-17(15)22-18/h3-12,22H,1-2H3
InChIKey
KTNNVYIMEPONFW-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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