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CAS 99026-99-0 Limonexic acid molecular structure lightbox
CAS RN: 99026-99-0

Limonexic acid

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260406 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS99026-99-0
  • Purity/Analytical Methods: >99.0%
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99026-99-0 / (1R,2R,7S,10R,13R,14R,16S,19R,20S)-19-(2-hydroxy-5-oxo-2H-furan-3-yl)-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,12,17-trione

Standard CAS: 99026-99-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
99026-99-0
Multi CAS
Yes
Molecular Formula
C26H30O10
Molecular Weight
502.500000
Exact Mass
502.183897
InChI
InChI=1S/C26H30O10/c1-22(2)13-8-14(27)24(4)12(25(13)10-32-16(28)9-15(25)35-22)5-6-23(3)18(11-7-17(29)33-20(11)30)34-21(31)19-26(23,24)36-19/h7,12-13,15,18-20,30H,5-6,8-10H2,1-4H3/t12-,13-,15-,18-,19+,20?,23-,24-,25+,26+/m0/s1
InChIKey
RTPPVNISJHFPFX-PEVOZZQFSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Fraction Csp3
0.77
Rotatable bonds
1
H-bond acceptors
10
H-bond donors
1
Molar refractivity
116.68
TPSA
137.96

LogP / Solubility

WLOGP
0.97
MLOGP
0.89
Consensus LogP
0.62
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-3.85
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.09

Drug-likeness / Medicinal Chemistry

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

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