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CAS 479050-94-7 C16-HSL molecular structure lightbox
CAS RN: 479050-94-7

C16-HSL

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250203 500mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS479050-94-7
  • Purity/Analytical Methods: >99.0%
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479050-94-7 / N-(2-oxooxolan-3-yl)hexadec-9-enamide

Standard CAS: 479050-94-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
479050-94-7
Multi CAS
Yes
Molecular Formula
C20H35NO3
Molecular Weight
337.500000
Exact Mass
337.261694
InChI
InChI=1S/C20H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)21-18-16-17-24-20(18)23/h7-8,18H,2-6,9-17H2,1H3,(H,21,22)/b8-7-/t18-/m0/s1
InChIKey
BDQHAQLGRDSHKW-ZEVQVBBLSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.8
Rotatable bonds
14
H-bond acceptors
3
H-bond donors
1
Molar refractivity
97.72
TPSA
55.4

LogP / Solubility

WLOGP
4.68
MLOGP
4.13
XLogP3
6
Consensus LogP
4.94
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.41
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.46

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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