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CAS 477890-82-7 8,8”-Biskoenigine molecular structure lightbox
CAS RN: 477890-82-7

8,8”-Biskoenigine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260121 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS477890-82-7
  • Purity/Analytical Methods: >99.0%
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477890-82-7 / 10-(9-hydroxy-8-methoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-10-yl)-8-methoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-9-ol

Standard CAS: 477890-82-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
477890-82-7
Multi CAS
No
Molecular Formula
C38H36N2O6
Molecular Weight
616.700000
Exact Mass
616.257337
InChI
InChI=1S/C38H36N2O6/c1-17-13-21-23-15-25(43-7)33(41)27(31(23)39-29(21)19-9-11-37(3,4)45-35(17)19)28-32-24(16-26(44-8)34(28)42)22-14-18(2)36-20(30(22)40-32)10-12-38(5,6)46-36/h9-16,39-42H,1-8H3
InChIKey
DQRAEENKHHFBHV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
46
Aromatic heavy atom count
26
Fraction Csp3
0.26
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
4
Molar refractivity
183.99
TPSA
108.96

LogP / Solubility

WLOGP
9.04
MLOGP
8
XLogP3
8.3
Consensus LogP
8.45
Log S (ESOL)
-9.58
Class (ESOL)
Insoluble
Log S (Ali)
-11.14
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.53
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.07

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6.5

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