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CAS 7411-12-3 GLORIOSINE molecular structure lightbox
CAS RN: 7411-12-3

GLORIOSINE

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250526 25mg / 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS7411-12-3
  • Purity/Analytical Methods: >99.0%
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7411-12-3 / N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]formamide

Standard CAS: 7411-12-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7411-12-3
Multi CAS
Yes
Molecular Formula
C21H23NO6
Molecular Weight
385.400000
Exact Mass
385.152537
InChI
InChI=1S/C21H23NO6/c1-25-17-8-6-13-14(10-16(17)24)15(22-11-23)7-5-12-9-18(26-2)20(27-3)21(28-4)19(12)13/h6,8-11,15H,5,7H2,1-4H3,(H,22,23)/t15-/m0/s1
InChIKey
HDSXDWASQCHADG-HNNXBMFYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
13
Fraction Csp3
0.33
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
1
Molar refractivity
104.62
TPSA
83.09

LogP / Solubility

WLOGP
2.48
MLOGP
2.21
XLogP3
1
Consensus LogP
1.9
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.94
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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