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CAS 53163-55-6 (2E,4E,6E,8E,10E)-Diethyl 4,9-dimethyldodeca-2,4,6,8,10-pentaenedioate molecular structure lightbox
CAS RN: 53163-55-6

(2E,4E,6E,8E,10E)-Diethyl 4,9-dimethyldodeca-2,4,6,8,10-pentaenedioate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250825 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS53163-55-6
  • Purity/Analytical Methods: >99.0%
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53163-55-6 / diethyl (2E,4E,6E,8E,10E)-4,9-dimethyldodeca-2,4,6,8,10-pentaenedioate

Standard CAS: 53163-55-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
53163-55-6
Multi CAS
Yes
Molecular Formula
C18H24O4
Molecular Weight
304.400000
Exact Mass
304.167459
InChI
InChI=1S/C18H24O4/c1-5-21-17(19)13-11-15(3)9-7-8-10-16(4)12-14-18(20)22-6-2/h7-14H,5-6H2,1-4H3/b8-7+,13-11+,14-12+,15-9+,16-10+
InChIKey
DDYKQJBQCHMVOY-ZIPQNXPMSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
0.33
Rotatable bonds
8
H-bond acceptors
4
Molar refractivity
88.2
TPSA
52.6

LogP / Solubility

WLOGP
3.67
MLOGP
3.25
XLogP3
4.8
Consensus LogP
3.91
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.71
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.65
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.97

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
2.5

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