CAS RN: 51415-07-7

momilactone A

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250731 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS51415-07-7
  • Purity/Analytical Methods: >99.0%
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51415-07-7 / (1R,2R,5R,9R,12R,16R)-5-ethenyl-1,5,12-trimethyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadec-7-ene-11,13-dione

Standard CAS: 51415-07-7 Multi CAS: Yes

Basic Information

CAS
51415-07-7
Multi CAS
Yes
Molecular Formula
C20H26O3
Molecular Weight
314.400000
Exact Mass
314.188195
InChI
InChI=1S/C20H26O3/c1-5-18(2)8-6-13-12(11-18)10-14-16-19(13,3)9-7-15(21)20(16,4)17(22)23-14/h5,10,13-14,16H,1,6-9,11H2,2-4H3/t13-,14-,16-,18-,19-,20+/m1/s1
InChIKey
MPHXYQVSOFGNEN-JGHPTVLTSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.7
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
87.55
TPSA
43.37

LogP / Solubility

WLOGP
3.84
MLOGP
3.39
XLogP3
3.8
Consensus LogP
3.68
Log S (ESOL)
-4.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.01
Class (SILICOS-IT)
Slightly soluble

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)
-1.91

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

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