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CAS 124753-97-5 C6 CERAMIDE molecular structure lightbox
CAS RN: 124753-97-5

C6 CERAMIDE

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250910 25mg In stock Shanghai, Shandong Inquiry
Batchno.20260502 5mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250625 25mg Out of stock Inquiry
Batchno.20260123 5mg In stock Inquiry
  • Product code: starshine_CAS124753-97-5
  • Purity/Analytical Methods: >99.0%
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124753-97-5 / N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]hexanamide

Standard CAS: 124753-97-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
124753-97-5
Multi CAS
No
Molecular Formula
C24H47NO3
Molecular Weight
397.600000
Exact Mass
397.355594
SMILES
CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCCC)O
InChI
InChI=1S/C24H47NO3/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-19-23(27)22(21-26)25-24(28)20-17-6-4-2/h18-19,22-23,26-27H,3-17,20-21H2,1-2H3,(H,25,28)/b19-18+/t22-,23+/m0/s1
InChIKey
NPRJSFWNFTXXQC-QFWQFVLDSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Fraction Csp3
0.88
Rotatable bonds
20
H-bond acceptors
3
H-bond donors
3
Molar refractivity
119.38
TPSA
69.56

LogP / Solubility

WLOGP
5.66
MLOGP
5.01
XLogP3
7.5
Consensus LogP
6.06
Log S (ESOL)
-4.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.91
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.34
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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