Aerobactin
TL;DR: Aerobactin (CAS 27023-00-3) is a chemical compound with molecular formula C22H36N4O13 and molecular weight 564.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(1S)-5-[acetyl(hydroxy)amino]-1-carboxypentyl]amino]-2-[2-[[(1S)-5-[acetyl(hydroxy)amino]-1-carboxypentyl]amino]-2-oxoethyl]-2-hydroxy-4-oxobutanoic acid
Also Known As: aerobactin, Ferric-aerobactin, Fe-Aerobactin, (8S,16S)-3,12,21-trihydroxy-2,10,14,22-tetraoxo-3,9,15,21-tetraazatricosane-8,12,16-tricarboxylic acid, 4-[[(1S)-5-[acetyl(hydroxy)amino]-1-carboxypentyl]amino]-2-[2-[[(1S)-5-[acetyl(hydroxy)amino]-1-carboxypentyl]amino]-2-oxoethyl]-2-hydroxy-4-oxobutanoic acid
| Molecular Formula | C22H36N4O13 |
|---|---|
| Molecular Weight | 564.23 g/mol |
| LogP | -3.1 |
| Topological Polar Surface Area | 271.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 19 |
| Exact Mass | 564.2279 |
| Heavy Atoms | 39 |
| Complexity | 848.0 |
Chemical Identifiers
| CAS Number | 27023-00-3 |
|---|---|
| SMILES | CC(=O)N(CCCC[C@@H](C(=O)O)NC(=O)CC(CC(=O)N[C@@H](CCCCN(C(=O)C)O)C(=O)O)(C(=O)O)O)O |
| InChIKey | KDHHWXGBNUCREU-HOTGVXAUSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Aerobactin (CAS 27023-00-3), with molecular formula C22H36N4O13 and molecular weight 564.23 g/mol. IUPAC: 4-[[(1S)-5-[acetyl(hydroxy)amino]-1-carboxypentyl]amino]-2-[2-[[(1S)-5-[acetyl(hydroxy)amino]-1-carboxypentyl]amino]-2-oxoethyl]-2-hydroxy-4-oxobutanoic acid.
Chemical Property Profile of Aerobactin
Property Insights of Aerobactin
The XLogP value of -3.1 indicates that Aerobactin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 271.0 Ų indicates high polarity, suggesting Aerobactin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aerobactin has 8 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Aerobactin?
The CAS number of Aerobactin is 27023-00-3.
What is the molecular formula of Aerobactin?
The molecular formula of Aerobactin is C22H36N4O13.
What is the molecular weight of Aerobactin?
The molecular weight of Aerobactin is 564.23 g/mol.
Where can I buy Aerobactin?
You can request a quote for Aerobactin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aerobactin?
Yes, KEHONG BIO provides custom synthesis services for Aerobactin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.