Enopeptin A
TL;DR: Enopeptin A (CAS 139601-96-0) is a chemical compound with molecular formula C47H57N7O11 and molecular weight 895.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-hydroxy-5-oxocyclopenten-1-yl)-N'-[1-oxo-3-phenyl-1-[(9,13,16,17-tetramethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl)amino]propan-2-yl]dodeca-2,4,6,8,10-pentaenediamide
Also Known As: Enopeptin A, (2E,4E,6E,8E,10E)-N-(2-Hydroxy-5-oxocyclopenten-1-yl)-N'-[(2S)-1-oxo-3-phenyl-1-[[(3S,7S,9R,13S,16S,19S)-9,13,16,17-tetramethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]amino]propan-2-yl]dodeca-2,4,6,8,10-pentaenediamide, (4R)-N-[(2E,4E,6E,8E,10E)-12-[(2-Hydroxy-5-oxo-1-cyclopenten-1-yl)amino]-1,12-dioxo-2,4,6,8,10-dodecapentaen-1-yl]-L-phenylalanyl-L-seryl-L-prolyl-L-proline, (6-->2)-lactone
| Molecular Formula | C47H57N7O11 |
|---|---|
| Molecular Weight | 895.41 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 241.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Exact Mass | 895.4116 |
| Heavy Atoms | 65 |
| Complexity | 2030.0 |
Chemical Identifiers
| CAS Number | 139601-96-0 |
|---|---|
| SMILES | CC1CC2C(=O)OCC(C(=O)N3CCCC3C(=O)N(C(C(=O)NC(C(=O)N2C1)C)C)C)NC(=O)C(CC4=CC=CC=C4)NC(=O)C=CC=CC=CC=CC=CC(=O)NC5=C(CCC5=O)O |
| InChIKey | ODKIYTBYJKALOK-UHFFFAOYSA-N |
Product Overview
Enopeptin A (CAS 139601-96-0), with molecular formula C47H57N7O11 and molecular weight 895.41 g/mol. IUPAC: N-(2-hydroxy-5-oxocyclopenten-1-yl)-N'-[1-oxo-3-phenyl-1-[(9,13,16,17-tetramethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl)amino]propan-2-yl]dodeca-2,4,6,8,10-pentaenediamide.
Chemical Property Profile of Enopeptin A
Property Insights of Enopeptin A
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Enopeptin A. The TPSA of 241.0 Ų indicates high polarity, suggesting Enopeptin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Enopeptin A has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Enopeptin A?
The CAS number of Enopeptin A is 139601-96-0.
What is the molecular formula of Enopeptin A?
The molecular formula of Enopeptin A is C47H57N7O11.
What is the molecular weight of Enopeptin A?
The molecular weight of Enopeptin A is 895.41 g/mol.
Where can I buy Enopeptin A?
You can request a quote for Enopeptin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Enopeptin A?
Yes, KEHONG BIO provides custom synthesis services for Enopeptin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.