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CAS 74299-48-2 Dehydrocostuslactone molecular structure lightbox
CAS RN: 74299-48-2

Dehydrocostuslactone

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250201 5mg / 25mg / 100mg / 500mg Confirm by inquiry Shanghai, Shandong, Chongqing Inquiry
  • Product code: starshine_CAS74299-48-2
  • Purity/Analytical Methods: >99.0%
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74299-48-2 / (3aS,6aR,9aR,9bS)-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one

Standard CAS: 74299-48-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
74299-48-2
Multi CAS
Yes
Molecular Formula
C15H18O2
Molecular Weight
230.300000
Exact Mass
230.130680
InChI
InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1
InChIKey
NETSQGRTUNRXEO-XUXIUFHCSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.53
H-bond acceptors
2
Molar refractivity
66.24
TPSA
26.3

LogP / Solubility

WLOGP
3.02
MLOGP
2.66
XLogP3
2.6
Consensus LogP
2.76
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
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)
-1.98

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
3.5

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