![CAS 606101-78-4 1H-Indeno[5,4-f]quinoline-7-carboxylic acid, 3-fluoro-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1,4a,6a-triMethyl-2-oxo-, Methyl ester, (4aS,4bS,6aS,7S,9aS,9bS,11aR)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/606101-78-4.gif)
CAS RN: 606101-78-4
1H-Indeno[5,4-f]quinoline-7-carboxylic acid, 3-fluoro-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1,4a,6a-triMethyl-2-oxo-, Methyl ester, (4aS,4bS,6aS,7S,9aS,9bS,11aR)-
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.20260426 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS606101-78-4
- Purity/Analytical Methods: >99.0%
606101-78-4 / methyl (1S,3aS,3bS,5aR,9aS,9bS,11aS)-8-fluoro-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxylate
Basic Information
CAS
606101-78-4
Multi CAS
Yes
Molecular Formula
C21FH30NO3
Molecular Weight
363.500000
Exact Mass
363.220972
InChI
InChI=1S/C21H30FNO3/c1-20-10-9-14-12(13(20)6-7-15(20)19(25)26-4)5-8-17-21(14,2)11-16(22)18(24)23(17)3/h11-15,17H,5-10H2,1-4H3/t12-,13-,14-,15+,17+,20-,21+/m0/s1
InChIKey
QBICUTLRKTYKCH-ADWQCJSGSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Fraction Csp3
0.81
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
95.64
TPSA
46.61
LogP / Solubility
WLOGP
3.71
MLOGP
3.29
XLogP3
4.3
Consensus LogP
3.77
Log S (ESOL)
-4.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.22
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6.5
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![CAS 606101-79-5 1H-Indeno[5,4-f]quinoline-7-carboxylic acid, 3-fluoro-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1,4a,6a-triMethyl-2-oxo-, (4aS,4bS,6aS,7S,9aS,9bS,11aR)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/606101-79-5.gif)
