CAS RN: 878627-21-5

N-TRIDECANOYL-L-HOMSERINE LACTONE

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Batchno.20260121 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS878627-21-5
  • Purity/Analytical Methods: >99.0%
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878627-21-5 / N-(2-oxooxolan-3-yl)tridecanamide

Standard CAS: 878627-21-5 Multi CAS: Yes

Basic Information

CAS
878627-21-5
Multi CAS
Yes
Molecular Formula
C17H31NO3
Molecular Weight
297.400000
Exact Mass
297.230394
InChI
InChI=1S/C17H31NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16(19)18-15-13-14-21-17(15)20/h15H,2-14H2,1H3,(H,18,19)/t15-/m0/s1
InChIKey
BWHZLNSEWMAGNV-HNNXBMFYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.88
Rotatable bonds
12
H-bond acceptors
3
H-bond donors
1
Molar refractivity
83.97
TPSA
55.4

LogP / Solubility

WLOGP
3.73
MLOGP
3.29
XLogP3
5.3
Consensus LogP
4.11
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.13
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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