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CAS 2304-80-5 C18 Dihydroceramide molecular structure lightbox
CAS RN: 2304-80-5

C18 Dihydroceramide

  • Product code: SSC-111862
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2304-80-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

2304-80-5 / N-(1,3-dihydroxyoctadecan-2-yl)octadecanamide

Standard CAS: 2304-80-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2304-80-5
Multi CAS
No
Molecular Formula
C36H73NO3
Molecular Weight
568.000000
Exact Mass
567.559045
SMILES
CCCCCCCCCCCCCCCCCC(=O)NC(CO)C(CCCCCCCCCCCCCCC)O
InChI
InChI=1S/C36H73NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h34-35,38-39H,3-33H2,1-2H3,(H,37,40)/t34-,35+/m0/s1
InChIKey
KZTJQXAANJHSCE-OIDHKYIRSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Fraction Csp3
0.97
Rotatable bonds
33
H-bond acceptors
3
H-bond donors
3
Molar refractivity
174.88
TPSA
69.56

LogP / Solubility

WLOGP
10.57
MLOGP
9.34
XLogP3
14.5
Consensus LogP
11.47
Log S (ESOL)
-7.84
Class (ESOL)
Insoluble
Log S (Ali)
-11.85
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.08
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)
1.32

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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