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CAS 421558-76-1 Artemyriantholide D molecular structure lightbox
CAS RN: 421558-76-1

Artemyriantholide D

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251115 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS421558-76-1
  • Purity/Analytical Methods: >99.0%
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421558-76-1 / (1R,1'R,2'R,3S,5'S,6S,7S,9'S,10S,10'S,11R,11'R)-2'-hydroxy-2',3,11',12-tetramethyl-6'-methylidenespiro[2,9-dioxatetracyclo[9.3.0.01,3.06,10]tetradec-12-ene-7,15'-8-oxatetracyclo[9.2.2.01,10.05,9]pentadec-12-ene]-7',8-dione

Standard CAS: 421558-76-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
421558-76-1
Multi CAS
Yes
Molecular Formula
C30H36O6
Molecular Weight
492.600000
Exact Mass
492.251189
InChI
InChI=1S/C30H36O6/c1-15-6-11-30-19(15)21-18(8-10-27(30,5)36-30)29(24(32)35-21)14-28-13-12-25(29,3)22(28)20-17(7-9-26(28,4)33)16(2)23(31)34-20/h6,12-13,17-22,33H,2,7-11,14H2,1,3-5H3/t17-,18+,19+,20-,21-,22-,25+,26+,27-,28-,29+,30+/m0/s1
InChIKey
ZIEXIIVSXSCSRL-KYHVQWHXSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Fraction Csp3
0.73
H-bond acceptors
6
H-bond donors
1
Molar refractivity
129.28
TPSA
85.36

LogP / Solubility

WLOGP
4.03
MLOGP
3.58
XLogP3
3.2
Consensus LogP
3.6
Log S (ESOL)
-5.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.51
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.2
Class (SILICOS-IT)
Insoluble

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)
-2.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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