N(alpha)-Palmitoyl-ornithylornithine ethyl ester
TL;DR: N(alpha)-Palmitoyl-ornithylornithine ethyl ester (CAS 76314-99-3) is a chemical compound with molecular formula C28H58Cl2N4O4 and molecular weight 584.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2S)-5-amino-2-[[(2S)-5-amino-2-(hexadecanoylamino)pentanoyl]amino]pentanoate;dihydrochloride
Also Known As: NAPOO, N(alpha)-Palmitoyl-ornithylornithine ethyl ester, N -palmitoyl-ornithylornithineethylester, Nalpha-Palmitoyl-ornithylornithine ethyl ester, Nalpha-Palmitoyl-L-ornithyl-L-ornithine ethyl ester
| Molecular Formula | C28H58Cl2N4O4 |
|---|---|
| Molecular Weight | 584.38 g/mol |
| LogP | 5.3218 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 26 |
| Exact Mass | 584.3835 |
| Heavy Atoms | 38 |
| Complexity | 560.0 |
Chemical Identifiers
| CAS Number | 76314-99-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)N[C@@H](CCCN)C(=O)N[C@@H](CCCN)C(=O)OCC.Cl.Cl |
| InChIKey | XWQVPLRFEWUMQM-LXTBHBSOSA-N |
Product Overview
N(alpha)-Palmitoyl-ornithylornithine ethyl ester (CAS 76314-99-3), with molecular formula C28H58Cl2N4O4 and molecular weight 584.38 g/mol. IUPAC: ethyl (2S)-5-amino-2-[[(2S)-5-amino-2-(hexadecanoylamino)pentanoyl]amino]pentanoate;dihydrochloride.
Chemical Property Profile of N(alpha)-Palmitoyl-ornithylornithine ethyl ester
Property Insights of N(alpha)-Palmitoyl-ornithylornithine ethyl ester
The XLogP value of 5.3218 indicates that N(alpha)-Palmitoyl-ornithylornithine ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N(alpha)-Palmitoyl-ornithylornithine ethyl ester. Following Lipinski's Rule of Five, N(alpha)-Palmitoyl-ornithylornithine ethyl ester has 6 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N(alpha)-Palmitoyl-ornithylornithine ethyl ester?
The CAS number of N(alpha)-Palmitoyl-ornithylornithine ethyl ester is 76314-99-3.
What is the molecular formula of N(alpha)-Palmitoyl-ornithylornithine ethyl ester?
The molecular formula of N(alpha)-Palmitoyl-ornithylornithine ethyl ester is C28H58Cl2N4O4.
What is the molecular weight of N(alpha)-Palmitoyl-ornithylornithine ethyl ester?
The molecular weight of N(alpha)-Palmitoyl-ornithylornithine ethyl ester is 584.38 g/mol.
Where can I buy N(alpha)-Palmitoyl-ornithylornithine ethyl ester?
You can request a quote for N(alpha)-Palmitoyl-ornithylornithine ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N(alpha)-Palmitoyl-ornithylornithine ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for N(alpha)-Palmitoyl-ornithylornithine ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.