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CAS 202467-76-3 C4 Dihydroceramide molecular structure lightbox
CAS RN: 202467-76-3

C4 Dihydroceramide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250531 1mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS202467-76-3
  • Purity/Analytical Methods: >99.0%
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202467-76-3 / N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]butanamide

Standard CAS: 202467-76-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
202467-76-3
Multi CAS
No
Molecular Formula
C22H45NO3
Molecular Weight
371.600000
Exact Mass
371.339944
SMILES
CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)CCC)O
InChI
InChI=1S/C22H45NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-21(25)20(19-24)23-22(26)17-4-2/h20-21,24-25H,3-19H2,1-2H3,(H,23,26)/t20-,21+/m0/s1
InChIKey
OQNWHOCKDMLTSP-LEWJYISDSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
0.95
Rotatable bonds
19
H-bond acceptors
3
H-bond donors
3
Molar refractivity
110.24
TPSA
69.56

LogP / Solubility

WLOGP
5.11
MLOGP
4.51
XLogP3
6.9
Consensus LogP
5.51
Log S (ESOL)
-4.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.29
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.59
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
Yes
Log Kp (skin permeation)
-1.36

Drug-likeness / Medicinal Chemistry

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

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