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CAS 177158-21-3 N-[(3S)-TETRAHYDRO-2-OXO-3-FURANYL]-NONANAMIDE molecular structure lightbox
CAS RN: 177158-21-3

N-[(3S)-TETRAHYDRO-2-OXO-3-FURANYL]-NONANAMIDE

Product Availability

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251110 5mg / 50mg / 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS177158-21-3
  • Purity/Analytical Methods: >99.0%
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177158-21-3 / N-[(3S)-2-oxooxolan-3-yl]nonanamide

Standard CAS: 177158-21-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
177158-21-3
Multi CAS
No
Molecular Formula
C13H23NO3
Molecular Weight
241.330000
Exact Mass
241.167794
SMILES
CCCCCCCCC(=O)N[C@H]1CCOC1=O
InChI
InChI=1S/C13H23NO3/c1-2-3-4-5-6-7-8-12(15)14-11-9-10-17-13(11)16/h11H,2-10H2,1H3,(H,14,15)/t11-/m0/s1
InChIKey
OMPXHNXRUVEQDO-NSHDSACASA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.85
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
1
Molar refractivity
65.5
TPSA
55.4

LogP / Solubility

WLOGP
2.17
MLOGP
1.91
XLogP3
3.2
Consensus LogP
2.43
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.99
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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