![CAS 754919-24-9 (R)-5,6,6a,7-Tetrahydro-1,2-dimethoxy-6,6-dimethyl-4H-dibenzo[de,g]quinolinium molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/754919-24-9.gif)
CAS RN: 754919-24-9
(R)-5,6,6a,7-Tetrahydro-1,2-dimethoxy-6,6-dimethyl-4H-dibenzo[de,g]quinolinium
Product Availability
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4 package records0 with current stock2 grade groups
- Product code: starshine_CAS754919-24-9
- Purity/Analytical Methods: >99.0%
754919-24-9 / 1,2-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium
Basic Information
CAS
754919-24-9
Multi CAS
Yes
Molecular Formula
C20H24NO2
Molecular Weight
310.400000
Exact Mass
310.180704
InChI
InChI=1S/C20H24NO2/c1-21(2)10-9-14-12-17(22-3)20(23-4)19-15-8-6-5-7-13(15)11-16(21)18(14)19/h5-8,12,16H,9-11H2,1-4H3/q+1/t16-/m1/s1
InChIKey
NJSAZXBJMATEKS-MRXNPFEDSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
92.11
TPSA
18.46
LogP / Solubility
WLOGP
3.6
MLOGP
3.18
XLogP3
3.4
Consensus LogP
3.39
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.91
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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