CAS RN: 553-21-9

Costunolide

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12 package records9 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260523 100mg In stock Shanghai Inquiry
Batchno.20260215 10mg In stock Shanghai Inquiry
Batchno.20250314 1g In stock Shanghai Inquiry
Batchno.20251220 1mg In stock Shanghai Inquiry
Batchno.20250820 250mg In stock Shanghai Inquiry
Batchno.20250207 5g Out of stock Inquiry
Batchno.20260127 5mg In stock Shanghai Inquiry
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Batchno.20250404 20mg In stock Inquiry
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Batchno.20250421 100mg Out of stock Inquiry
Batchno.20251215 25mg In stock Inquiry
Batchno.20260330 500mg Out of stock Inquiry
Batchno.20260131 5mg In stock Inquiry
  • Product code: ICTC2921
  • Purity/Analytical Methods: >95.0%(HPLC)
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553-21-9 / (3aS,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one

Standard CAS: 553-21-9 Multi CAS: Yes

Basic Information

CAS
553-21-9
Multi CAS
Yes
Molecular Formula
C15H20O2
Molecular Weight
232.320000
Exact Mass
232.146330
InChI
InChI=1S/C15H20O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h5,9,13-14H,3-4,6-8H2,1-2H3/t13-,14+/m0/s1
InChIKey
HRYLQFBHBWLLLL-UONOGXRCSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.53
H-bond acceptors
2
Molar refractivity
68.49
TPSA
26.3

LogP / Solubility

WLOGP
3.55
MLOGP
3.13
XLogP3
2.1
Consensus LogP
2.93
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.12
Class (SILICOS-IT)
Slightly 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)
-1.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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