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CAS 88182-33-6 Levistilide A molecular structure lightbox
CAS RN: 88182-33-6

Levistilide A

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250413 1mg / 5mg / 25mg / 100mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS88182-33-6
  • Purity/Analytical Methods: >99.0%
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88182-33-6 / (2S,6Z,10S,16Z)-6,16-di(butylidene)-5,15-dioxapentacyclo[9.5.2.01,13.02,10.03,7]octadeca-3(7),12-diene-4,14-dione

Standard CAS: 88182-33-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
88182-33-6
Multi CAS
Yes
Molecular Formula
C24H28O4
Molecular Weight
380.500000
Exact Mass
380.198759
InChI
InChI=1S/C24H28O4/c1-3-5-7-18-16-10-9-15-14-11-12-24(21(15)20(16)23(26)27-18)17(13-14)22(25)28-19(24)8-6-4-2/h7-8,13-15,21H,3-6,9-12H2,1-2H3/b18-7-,19-8-/t14-,15+,21-,24+/m1/s1
InChIKey
UBBRXVRQZJSDAK-ZJHGLIIDSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Fraction Csp3
0.58
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
104.65
TPSA
52.6

LogP / Solubility

WLOGP
5.13
MLOGP
4.53
XLogP3
4.9
Consensus LogP
4.85
Log S (ESOL)
-5.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.38
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.87
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
9

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