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N-[(E,2S,3R)-1,3-dihydroxyheptadec-4-en-2-yl]octadecanamide structure
Fine Chemical

N-[(E,2S,3R)-1,3-dihydroxyheptadec-4-en-2-yl]octadecanamide

TL;DR: N-[(E,2S,3R)-1,3-dihydroxyheptadec-4-en-2-yl]octadecanamide (CAS 123065-42-9) is a chemical compound with molecular formula C35H69NO3 and molecular weight 551.5278 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

N-[(E,2S,3R)-1,3-dihydroxyheptadec-4-en-2-yl]octadecanamide

Also Known As: Cer 35:1, N-octadecanoyl-C17-sphingosine, C18 Ceramide (d17:1/18:0), Cer(d17:1/18:0), N-octadecanoyl-heptadecasphing-4-enine

CAS Number
123065-42-9
Molecular Formula
C35H69NO3
Molecular Weight
551.5278 g/mol
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Technical Specifications

Molecular FormulaC35H69NO3
Molecular Weight551.5278 g/mol
XLogP13.4
Topological Polar Surface Area (TPSA)69.6 Ų
Hydrogen Bond Donors3
Hydrogen Bond Acceptors3
Rotatable Bonds31
Exact Mass551.5278 Da
Heavy Atoms39
Complexity522.0
SMILESCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCCCC)O
InChIKeyKGEXFGDEDXQZLQ-QKSCFGQVSA-N

Chemical Property Profile of N-[(E,2S,3R)-1,3-dihydroxyheptadec-4-en-2-yl]octadecanamide

XLogP
13.4
TPSA (Topological Polar Surface Area)
69.6
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
3
Rotatable Bonds
31
Heavy Atoms
39
Complexity
522.0
Exact Mass
551.5278
Monoisotopic Mass
551.5278
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of N-[(E,2S,3R)-1,3-dihydroxyheptadec-4-en-2-yl]octadecanamide

The XLogP value of 13.4 indicates that N-[(E,2S,3R)-1,3-dihydroxyheptadec-4-en-2-yl]octadecanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(E,2S,3R)-1,3-dihydroxyheptadec-4-en-2-yl]octadecanamide. Following Lipinski's Rule of Five, N-[(E,2S,3R)-1,3-dihydroxyheptadec-4-en-2-yl]octadecanamide has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of N-[(E,2S,3R)-1,3-dihydroxyheptadec-4-en-2-yl]octadecanamide?

The CAS number of N-[(E,2S,3R)-1,3-dihydroxyheptadec-4-en-2-yl]octadecanamide is 123065-42-9.

What is the molecular formula of N-[(E,2S,3R)-1,3-dihydroxyheptadec-4-en-2-yl]octadecanamide?

The molecular formula of N-[(E,2S,3R)-1,3-dihydroxyheptadec-4-en-2-yl]octadecanamide is C35H69NO3.

What is the molecular weight of N-[(E,2S,3R)-1,3-dihydroxyheptadec-4-en-2-yl]octadecanamide?

The molecular weight of N-[(E,2S,3R)-1,3-dihydroxyheptadec-4-en-2-yl]octadecanamide is 551.5278 g/mol.

Where can I buy N-[(E,2S,3R)-1,3-dihydroxyheptadec-4-en-2-yl]octadecanamide?

You can request a quote for N-[(E,2S,3R)-1,3-dihydroxyheptadec-4-en-2-yl]octadecanamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for N-[(E,2S,3R)-1,3-dihydroxyheptadec-4-en-2-yl]octadecanamide?

Yes, CoreyChem provides custom synthesis services for N-[(E,2S,3R)-1,3-dihydroxyheptadec-4-en-2-yl]octadecanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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