CAS RN: 30413-84-4
corydalmine
Product Availability
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5 package records5 with current stock1 grade group
- Product code: starshine_CAS30413-84-4
- Purity/Analytical Methods: >99.0%
30413-84-4 / (13aS)-2,3,9-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-10-ol
Basic Information
CAS
30413-84-4
Multi CAS
Yes
Molecular Formula
C20H23NO4
Molecular Weight
341.400000
Exact Mass
341.162708
InChI
InChI=1S/C20H23NO4/c1-23-18-9-13-6-7-21-11-15-12(4-5-17(22)20(15)25-3)8-16(21)14(13)10-19(18)24-2/h4-5,9-10,16,22H,6-8,11H2,1-3H3/t16-/m0/s1
InChIKey
DIHXHTWYVOYYDC-INIZCTEOSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
94.76
TPSA
51.16
LogP / Solubility
WLOGP
3.07
MLOGP
2.72
XLogP3
2.9
Consensus LogP
2.9
Log S (ESOL)
-4.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.79
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)
-2.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
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- CAS RN: 30418-89-4
- Product Code: starshine_CAS30418-89-4
- Purity/Analytical method: >99.0%
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