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CAS 59742-11-9 1beta,10beta-Epoxy-6beta-isobutyryloxy-9-oxofuranoeremophilane molecular structure lightbox
CAS RN: 59742-11-9

1beta,10beta-Epoxy-6beta-isobutyryloxy-9-oxofuranoeremophilane

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260523 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS59742-11-9
  • Purity/Analytical Methods: >99.0%
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59742-11-9 / [(1S,8S,9S,10S,13R)-6,9,10-trimethyl-2-oxo-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradeca-3(7),5-dien-8-yl] 2-methylpropanoate

Standard CAS: 59742-11-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
59742-11-9
Multi CAS
Yes
Molecular Formula
C19H24O5
Molecular Weight
332.400000
Exact Mass
332.162374
InChI
InChI=1S/C19H24O5/c1-9(2)17(21)23-16-13-10(3)8-22-14(13)15(20)19-12(24-19)7-6-11(4)18(16,19)5/h8-9,11-12,16H,6-7H2,1-5H3/t11-,12+,16+,18-,19-/m0/s1
InChIKey
WNPQEVZAOIQRLM-MFLGIWNWSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
5
Fraction Csp3
0.68
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
85.56
TPSA
69.04

LogP / Solubility

WLOGP
3.6
MLOGP
3.18
XLogP3
3.5
Consensus LogP
3.43
Log S (ESOL)
-4.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.88
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.05
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.19

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
6.5

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