Aerosporin
TL;DR: Aerosporin (CAS 1404-26-8) is a chemical compound with molecular formula C56H98N16O13 and molecular weight 1202.7499 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[4-amino-1-[[1-[[4-amino-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-15-benzyl-3-(1-hydroxyethyl)-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methyloctanamide
Also Known As: polymyxin b, Aerosporin, Polymyxin B1-d3, Polymixin B sulfate, Polymyxin B sulfate
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C56H98N16O13 |
| Molecular Weight | 1202.7499 g/mol |
| XLogP | -2.5 |
| Topological Polar Surface Area (TPSA) | 491.0 Ų |
| Hydrogen Bond Donors | 18 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 29 |
| Exact Mass | 1202.7499 Da |
| Heavy Atoms | 85 |
| Complexity | 2150.0 |
| Solubility | 7.44e-02 g/L |
| SMILES | CCC(C)CCCCC(=O)NC(CCN)C(=O)NC(C(C)O)C(=O)NC(CCN)C(=O)NC1CCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCN)CC2=CC=CC=C2)CC(C)C)CCN)CCN)C(C)O |
| InChIKey | WQVJHHACXVLGBL-UHFFFAOYSA-N |
Product Description
Applications: Aerosporin is used in pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Aerosporin (CAS 1404-26-8) is a pharmaceutical intermediate with the molecular formula C56H98N16O13 and a molecular weight of 1202.75 g/mol. Key physical properties include a solubility: 7.44e-02 g/L. Synonyms include polymyxin b and Aerosporin.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Aerosporin
Property Insights of Aerosporin
The XLogP value of -2.5 indicates that Aerosporin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 491.0 Ų indicates high polarity, suggesting Aerosporin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aerosporin has 18 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Aerosporin?
The CAS number of Aerosporin is 1404-26-8.
What is the molecular formula of Aerosporin?
The molecular formula of Aerosporin is C56H98N16O13.
What is the molecular weight of Aerosporin?
The molecular weight of Aerosporin is 1202.7499 g/mol.
What are the applications of Aerosporin?
Aerosporin is used in pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Where can I buy Aerosporin?
You can request a quote for Aerosporin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Aerosporin?
Yes, CoreyChem provides custom synthesis services for Aerosporin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.