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CAS 54088-62-9 Drotaveraldine molecular structure lightbox
CAS RN: 54088-62-9

Drotaveraldine

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6 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250811 10mg In stock Inquiry
Batchno.20250927 1mg Out of stock Inquiry
Batchno.20250913 25mg In stock Inquiry
Batchno.20260425 50mg In stock Inquiry
Batchno.20251211 5mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260606 10mg / 25mg / 50mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS54088-62-9
  • Purity/Analytical Methods: >99.0%
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54088-62-9 / (6,7-diethoxy-3,4-dihydroisoquinolin-1-yl)-(3,4-diethoxyphenyl)methanone

Standard CAS: 54088-62-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
54088-62-9
Multi CAS
No
Molecular Formula
C24H29NO5
Molecular Weight
411.500000
Exact Mass
411.204573
InChI
InChI=1S/C24H29NO5/c1-5-27-19-10-9-17(14-20(19)28-6-2)24(26)23-18-15-22(30-8-4)21(29-7-3)13-16(18)11-12-25-23/h9-10,13-15H,5-8,11-12H2,1-4H3
InChIKey
GWEJBCQISYBHHZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.42
Rotatable bonds
10
H-bond acceptors
6
Molar refractivity
117
TPSA
66.35

LogP / Solubility

WLOGP
4.51
MLOGP
3.99
XLogP3
4.2
Consensus LogP
4.23
Log S (ESOL)
-4.87
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.19
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.28
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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