Simumeramide
TL;DR: Simumeramide (CAS 124787-56-0) is a chemical compound with molecular formula C34H65NO3 and molecular weight 535.50 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]hexadecanamide
Also Known As: Simumeramide, Sinumeramide, Cer-NS d34:2, Cer 18:2;2O/16:0, N-[(4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]hexadecanamide
| Molecular Formula | C34H65NO3 |
|---|---|
| Molecular Weight | 535.50 g/mol |
| LogP | 9.339 |
| Topological Polar Surface Area | 69.56 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 29 |
| Exact Mass | 535.49646 |
| Heavy Atoms | 38 |
| Complexity | 545.849 |
Chemical Identifiers
| CAS Number | 124787-56-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)NC(CO)C(/C=C/CC/C=C/CCCCCCCCC)O |
Product Overview
Simumeramide (CAS 124787-56-0), with molecular formula C34H65NO3 and molecular weight 535.50 g/mol. IUPAC: N-[(4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]hexadecanamide.
Chemical Property Profile of Simumeramide
Property Insights of Simumeramide
The XLogP value of 9.339 indicates that Simumeramide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.56 Ų falls within the moderate polarity range, balancing permeability and solubility for Simumeramide. Following Lipinski's Rule of Five, Simumeramide has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Simumeramide?
The CAS number of Simumeramide is 124787-56-0.
What is the molecular formula of Simumeramide?
The molecular formula of Simumeramide is C34H65NO3.
What is the molecular weight of Simumeramide?
The molecular weight of Simumeramide is 535.50 g/mol.
Where can I buy Simumeramide?
You can request a quote for Simumeramide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Simumeramide?
Yes, KEHONG BIO provides custom synthesis services for Simumeramide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.