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CAS 55038-30-7 (2E,4E,12E)-13-(benzo[d][1,3]dioxol-5-yl)-N-isobutyltrideca-2,4,12-trienamide molecular structure lightbox
CAS RN: 55038-30-7

(2E,4E,12E)-13-(benzo[d][1,3]dioxol-5-yl)-N-isobutyltrideca-2,4,12-trienamide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260313 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS55038-30-7
  • Purity/Analytical Methods: >99.0%
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55038-30-7 / 13-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)trideca-2,4,12-trienamide

Standard CAS: 55038-30-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
55038-30-7
Multi CAS
Yes
Molecular Formula
C24H33NO3
Molecular Weight
383.500000
Exact Mass
383.246044
InChI
InChI=1S/C24H33NO3/c1-20(2)18-25-24(26)14-12-10-8-6-4-3-5-7-9-11-13-21-15-16-22-23(17-21)28-19-27-22/h8,10-17,20H,3-7,9,18-19H2,1-2H3,(H,25,26)/b10-8+,13-11+,14-12+
InChIKey
FPMPOFBEYSSYDQ-AUVZEZIHSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
12
H-bond acceptors
3
H-bond donors
1
Molar refractivity
115.43
TPSA
47.56

LogP / Solubility

WLOGP
5.65
MLOGP
5
XLogP3
6.8
Consensus LogP
5.82
Log S (ESOL)
-5.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.79
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.29
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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