CAS RN: 23599-69-1

norisoboldine

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10 package records8 with current stock2 grade groups
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Batchno.20250207 100mg In stock Shanghai Inquiry
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Batchno.20250402 10mg In stock Shandong Inquiry
Batchno.20250329 250mg Out of stock 5-7 business days Inquiry
Batchno.20250127 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS23599-69-1
  • Purity/Analytical Methods: >99.0%
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23599-69-1 / 2,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,9-diol

Standard CAS: 23599-69-1 Multi CAS: No

Basic Information

CAS
23599-69-1
Multi CAS
No
Molecular Formula
C18H19NO4
Molecular Weight
313.300000
Exact Mass
313.131408
SMILES
COC1=C(C2=C3C(CC4=CC(=C(C=C42)OC)O)NCCC3=C1)O
InChI
InChI=1S/C18H19NO4/c1-22-14-8-11-10(6-13(14)20)5-12-16-9(3-4-19-12)7-15(23-2)18(21)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1
InChIKey
HORZNQYQXBFWNZ-LBPRGKRZSA-N

Physical Properties

Melting Point
190 - 192 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
3
Molar refractivity
86.46
TPSA
70.95

LogP / Solubility

WLOGP
2.52
MLOGP
2.24
XLogP3
2.3
Consensus LogP
2.35
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.95
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.03
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)
-2.84

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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