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CAS 177158-20-2 C7-HSL molecular structure lightbox
CAS RN: 177158-20-2

C7-HSL

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260302 10mg / 50mg / 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Hebei Inquiry
  • Product code: starshine_CAS177158-20-2
  • Purity/Analytical Methods: >99.0%
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177158-20-2 / N-[(3S)-2-oxooxolan-3-yl]heptanamide

Standard CAS: 177158-20-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
177158-20-2
Multi CAS
No
Molecular Formula
C11H19NO3
Molecular Weight
213.270000
Exact Mass
213.136493
SMILES
CCCCCCC(=O)N[C@H]1CCOC1=O
InChI
InChI=1S/C11H19NO3/c1-2-3-4-5-6-10(13)12-9-7-8-15-11(9)14/h9H,2-8H2,1H3,(H,12,13)/t9-/m0/s1
InChIKey
FTMZLSDESAOPSZ-VIFPVBQESA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.82
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.27
TPSA
55.4

LogP / Solubility

WLOGP
1.39
MLOGP
1.22
XLogP3
2.1
Consensus LogP
1.57
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
Class (SILICOS-IT)
Moderately 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)
-3.04

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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