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CAS 56648-85-2 Tannagine molecular structure lightbox
CAS RN: 56648-85-2

Tannagine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250903 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS56648-85-2
  • Purity/Analytical Methods: >99.0%
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56648-85-2 / 4,5,11,12-tetramethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,11-tetraen-13-one

Standard CAS: 56648-85-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
56648-85-2
Multi CAS
Yes
Molecular Formula
C21H27NO5
Molecular Weight
373.400000
Exact Mass
373.188923
InChI
InChI=1S/C21H27NO5/c1-22-7-6-21-11-15(23)19(26-4)20(27-5)18(21)14(22)8-12-9-16(24-2)17(25-3)10-13(12)21/h9-10,14,18H,6-8,11H2,1-5H3
InChIKey
YRYHFXJRUQQCBR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
100.12
TPSA
57.23

LogP / Solubility

WLOGP
2.3
MLOGP
2.04
XLogP3
2.2
Consensus LogP
2.18
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.47
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.37

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6.5

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