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CAS 39815-40-2 Epitulipinolide diepoxide molecular structure lightbox
CAS RN: 39815-40-2

Epitulipinolide diepoxide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250711 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS39815-40-2
  • Purity/Analytical Methods: >99.0%
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39815-40-2 / [(1S,2R,4R,7R,9R,11R,12R)-4,9-dimethyl-13-methylidene-14-oxo-3,8,15-trioxatetracyclo[10.3.0.02,4.07,9]pentadecan-11-yl] acetate

Standard CAS: 39815-40-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
39815-40-2
Multi CAS
Yes
Molecular Formula
C17H22O6
Molecular Weight
322.400000
Exact Mass
322.141638
InChI
InChI=1S/C17H22O6/c1-8-12-10(20-9(2)18)7-17(4)11(22-17)5-6-16(3)14(23-16)13(12)21-15(8)19/h10-14H,1,5-7H2,2-4H3/t10-,11-,12-,13+,14-,16-,17-/m1/s1
InChIKey
WVJZWGBZQIZLSZ-KLGRDHRDSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.76
Rotatable bonds
1
H-bond acceptors
6
Molar refractivity
78.47
TPSA
77.66

LogP / Solubility

WLOGP
1.51
MLOGP
1.35
XLogP3
1.3
Consensus LogP
1.39
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.13
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
8

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