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CAS 929881-46-9 Cucumegastigmane I molecular structure lightbox
CAS RN: 929881-46-9

Cucumegastigmane I

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2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250628 5mg Out of stock Inquiry
Batchno.20251112 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS929881-46-9
  • Purity/Analytical Methods: >99.0%
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929881-46-9 / (4S)-4-[(E,3S)-3,4-dihydroxybut-1-enyl]-4-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one

Standard CAS: 929881-46-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
929881-46-9
Multi CAS
Yes
Molecular Formula
C13H20O4
Molecular Weight
240.290000
Exact Mass
240.136159
InChI
InChI=1S/C13H20O4/c1-9-6-11(16)7-12(2,3)13(9,17)5-4-10(15)8-14/h4-6,10,14-15,17H,7-8H2,1-3H3/b5-4+/t10-,13+/m0/s1
InChIKey
CNLCQYMRNGWEJB-OERKHBLVSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.62
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
64.34
TPSA
77.76

LogP / Solubility

WLOGP
0.57
MLOGP
0.51
XLogP3
-0.5
Consensus LogP
0.19
Log S (ESOL)
-1.49
Class (ESOL)
Soluble
Log S (Ali)
-1.94
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.06
Class (SILICOS-IT)
Moderately 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)
-3.78

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
2.5

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