CAS RN: 34778-57-9

Tridecanamide

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250920 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS34778-57-9
  • Purity/Analytical Methods: >99.0%
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34778-57-9 / tridecanamide

Standard CAS: 34778-57-9 Multi CAS: No

Basic Information

CAS
34778-57-9
Multi CAS
No
Molecular Formula
C13H27NO
Molecular Weight
213.360000
Exact Mass
213.209264
InChI
InChI=1S/C13H27NO/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H2,14,15)
InChIKey
RSSGSPAYFRXVKG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.92
Rotatable bonds
11
H-bond acceptors
1
H-bond donors
1
Molar refractivity
65.66
TPSA
43.09

LogP / Solubility

WLOGP
3.78
MLOGP
3.33
XLogP3
4.1
Consensus LogP
3.74
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.51
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
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)
-1.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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