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CAS 83324-51-0 8(17),13-Labdadien-15,16-olide molecular structure lightbox
CAS RN: 83324-51-0

8(17),13-Labdadien-15,16-olide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250827 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS83324-51-0
  • Purity/Analytical Methods: >99.0%
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83324-51-0 / 3-[2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one

Standard CAS: 83324-51-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
83324-51-0
Multi CAS
Yes
Molecular Formula
C20H30O2
Molecular Weight
302.500000
Exact Mass
302.224580
InChI
InChI=1S/C20H30O2/c1-14-6-9-17-19(2,3)10-5-11-20(17,4)16(14)8-7-15-12-18(21)22-13-15/h12,16-17H,1,5-11,13H2,2-4H3/t16-,17-,20+/m0/s1
InChIKey
RUXYUBRFOACSMM-ABSDTBQOSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
89.37
TPSA
26.3

LogP / Solubility

WLOGP
5.05
MLOGP
4.46
XLogP3
5.2
Consensus LogP
4.9
Log S (ESOL)
-4.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.18
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.98

Drug-likeness / Medicinal Chemistry

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

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