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CAS 91095-48-6 8-Epidiosbulbin E acetate molecular structure lightbox
CAS RN: 91095-48-6

8-Epidiosbulbin E acetate

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250306 100mg Out of stock Inquiry
Batchno.20260509 25mg In stock Shanghai Inquiry
Batchno.20250411 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS91095-48-6
  • Purity/Analytical Methods: >99.0%
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91095-48-6 / [8-(furan-3-yl)-10-methyl-6,15-dioxo-7,14-dioxatetracyclo[11.2.1.02,11.05,10]hexadecan-3-yl] acetate

Standard CAS: 91095-48-6 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
91095-48-6
Multi CAS
Yes
Molecular Formula
C21H24O7
Molecular Weight
388.400000
Exact Mass
388.152203
InChI
InChI=1S/C21H24O7/c1-10(22)26-16-7-15-20(24)28-17(11-3-4-25-9-11)8-21(15,2)14-6-12-5-13(18(14)16)19(23)27-12/h3-4,9,12-18H,5-8H2,1-2H3
InChIKey
DYSOIAQEKRDXRB-UHFFFAOYSA-N

Physical Properties

Melting Point
223 - 225 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
7
Molar refractivity
93.51
TPSA
92.04

LogP / Solubility

WLOGP
2.79
MLOGP
2.48
XLogP3
2.2
Consensus LogP
2.49
Log S (ESOL)
-4.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.74
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.11

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
9.5

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