Empedopeptin
TL;DR: Empedopeptin (CAS 87551-98-2) is a chemical compound with molecular formula C49H79N11O19 and molecular weight 1125.56 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[16-[carboxy(hydroxy)methyl]-31-[3-(diaminomethylideneamino)propyl]-20-hydroxy-3,25-bis(hydroxymethyl)-2,5,11,15,18,24,27,30,33-nonaoxo-13-undecyl-14-oxa-1,4,10,17,23,26,29,32-octazatetracyclo[32.3.0.06,10.019,23]heptatriacontan-28-yl]-2-hydroxyacetic acid
Also Known As: Empedopeptin, BMY 28117, BU 2517, 2-[16-[carboxy(hydroxy)methyl]-31-[3-(diaminomethylideneamino)propyl]-20-hydroxy-3,25-bis(hydroxymethyl)-2,5,11,15,18,24,27,30,33-nonaoxo-13-undecyl-14-oxa-1,4,10,17,23,26,29,32-octazatetracyclo[32.3.0.06,10.019,23]heptatriacontan-28-yl]-2-hydroxyacetic acid
| Molecular Formula | C49H79N11O19 |
|---|---|
| Molecular Weight | 1125.56 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 473.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 20 |
| Exact Mass | 1125.5554 |
| Heavy Atoms | 79 |
| Complexity | 2200.0 |
Chemical Identifiers
| CAS Number | 87551-98-2 |
|---|---|
| SMILES | CCCCCCCCCCCC1CC(=O)N2CCCC2C(=O)NC(C(=O)N3CCCC3C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N4CCC(C4C(=O)NC(C(=O)O1)C(C(=O)O)O)O)CO)C(C(=O)O)O)CCCN=C(N)N)CO |
| InChIKey | WSCOCOSDPASNLN-UHFFFAOYSA-N |
Product Overview
Empedopeptin (CAS 87551-98-2), with molecular formula C49H79N11O19 and molecular weight 1125.56 g/mol. IUPAC: 2-[16-[carboxy(hydroxy)methyl]-31-[3-(diaminomethylideneamino)propyl]-20-hydroxy-3,25-bis(hydroxymethyl)-2,5,11,15,18,24,27,30,33-nonaoxo-13-undecyl-14-oxa-1,4,10,17,23,26,29,32-octazatetracyclo[32.3.0.06,10.019,23]heptatriacontan-28-yl]-2-hydroxyacetic acid.
Chemical Property Profile of Empedopeptin
Property Insights of Empedopeptin
The XLogP value of -0.6 indicates that Empedopeptin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 473.0 Ų indicates high polarity, suggesting Empedopeptin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Empedopeptin has 14 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Empedopeptin?
The CAS number of Empedopeptin is 87551-98-2.
What is the molecular formula of Empedopeptin?
The molecular formula of Empedopeptin is C49H79N11O19.
What is the molecular weight of Empedopeptin?
The molecular weight of Empedopeptin is 1125.56 g/mol.
Where can I buy Empedopeptin?
You can request a quote for Empedopeptin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Empedopeptin?
Yes, KEHONG BIO provides custom synthesis services for Empedopeptin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.