CAS RN: 39945-41-0
Norglaucine hydrochloride
Product Availability
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2 package records0 with current stock2 grade groups
- Product code: starshine_CAS39945-41-0
- Purity/Analytical Methods: >99.0%
39945-41-0 / (6aR)-1,2,9,10-tetramethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline;hydrochloride
Basic Information
CAS
39945-41-0
Multi CAS
Yes
Molecular Formula
C20H24CLNO4
Molecular Weight
377.900000
Exact Mass
377.139386
InChI
InChI=1S/C20H23NO4.ClH/c1-22-15-9-12-7-14-18-11(5-6-21-14)8-17(24-3)20(25-4)19(18)13(12)10-16(15)23-2;/h8-10,14,21H,5-7H2,1-4H3;1H
InChIKey
WDRUUWONOHBDED-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
103.49
TPSA
48.95
LogP / Solubility
WLOGP
3.55
MLOGP
3.15
XLogP3
3.55
Consensus LogP
3.42
Log S (ESOL)
-4.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.54
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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