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CAS 56258-32-3 altertoxin I molecular structure lightbox
CAS RN: 56258-32-3

altertoxin I

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250624 100μg / 1mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS56258-32-3
  • Purity/Analytical Methods: >99.0%
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56258-32-3 / (12S,12aS,12bR)-4,9,12,12b-tetrahydroxy-2,11,12,12a-tetrahydro-1H-perylene-3,10-dione

Standard CAS: 56258-32-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
56258-32-3
Multi CAS
Yes
Molecular Formula
C20H16O6
Molecular Weight
352.300000
Exact Mass
352.094688
InChI
InChI=1S/C20H16O6/c21-10-3-1-8-9-2-4-11(22)17-12(23)5-6-20(26,18(9)17)19-14(25)7-13(24)16(10)15(8)19/h1-4,14,19,21-22,25-26H,5-7H2/t14-,19+,20-/m0/s1
InChIKey
GJIALGLHOBXNAT-KPOBHBOGSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.3
H-bond acceptors
6
H-bond donors
4
Molar refractivity
90.36
TPSA
115.06

LogP / Solubility

WLOGP
1.97
MLOGP
1.75
XLogP3
1.4
Consensus LogP
1.71
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.87
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5

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