CAS RN: 524-20-9
ARMEPAVINE
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5 package records3 with current stock1 grade group
- Product code: starshine_CAS524-20-9
- Purity/Analytical Methods: >99.0%
524-20-9 / 4-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenol
Basic Information
CAS
524-20-9
Multi CAS
Yes
Molecular Formula
C19H23NO3
Molecular Weight
313.400000
Exact Mass
313.167794
InChI
InChI=1S/C19H23NO3/c1-20-9-8-14-11-18(22-2)19(23-3)12-16(14)17(20)10-13-4-6-15(21)7-5-13/h4-7,11-12,17,21H,8-10H2,1-3H3
InChIKey
ZBKFZIUKXTWQTP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
90.43
TPSA
41.93
LogP / Solubility
WLOGP
3.18
MLOGP
2.81
XLogP3
3.4
Consensus LogP
3.13
Log S (ESOL)
-3.91
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.82
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
No
Log Kp (skin permeation)
-2.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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- Purity/Analytical method: >99.0%
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5-BENZYL-2-METHYL-2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE
- CAS RN: 524-81-2
- Product Code: SSC-159503
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![CAS 524-81-2 5-BENZYL-2-METHYL-2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/524-81-2.gif)
