Aureobasidin I
TL;DR: Aureobasidin I (CAS 127785-69-7) is a chemical compound with molecular formula C60H92N8O11 and molecular weight 1100.6886 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,6-dibenzyl-12-butan-2-yl-15-(2-hydroxypropan-2-yl)-4,10,16,22-tetramethyl-18,24-bis(2-methylpropyl)-9,21-di(propan-2-yl)-13-oxa-1,4,7,10,16,19,22,25-octazabicyclo[25.3.0]triacontane-2,5,8,11,14,17,20,23,26-nonone
Also Known As: Aureobasidin I, Antibiotic R 106VIII, 5-L-Leucineaureobasidin A, Aureobasidin A, 5-L-leucine-, 3,6-dibenzyl-12-butan-2-yl-15-(2-hydroxypropan-2-yl)-4,10,16,22-tetramethyl-18,24-bis(2-methylpropyl)-9,21-di(propan-2-yl)-13-oxa-1,4,7,10,16,19,22,25-octazabicyclo[25.3.0]triacontane-2,5,8,11,14,17,20,23,26-nonone
Technical Specifications
| Molecular Formula | C60H92N8O11 |
| Molecular Weight | 1100.6886 g/mol |
| XLogP | 8.5 |
| Topological Polar Surface Area (TPSA) | 235.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 13 |
| Exact Mass | 1100.6886 Da |
| Heavy Atoms | 79 |
| Complexity | 2100.0 |
| SMILES | CCC(C)C1C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)N2CCCC2C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)O1)C(C)(C)O)C)CC(C)C)C(C)C)C)CC(C)C)CC3=CC=CC=C3)C)CC4=CC=CC=C4)C(C)C)C |
| InChIKey | TXPKSEBYLYJCPU-UHFFFAOYSA-N |
Chemical Property Profile of Aureobasidin I
Property Insights of Aureobasidin I
The XLogP value of 8.5 indicates that Aureobasidin I is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 235.0 Ų indicates high polarity, suggesting Aureobasidin I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aureobasidin I has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Aureobasidin I?
The CAS number of Aureobasidin I is 127785-69-7.
What is the molecular formula of Aureobasidin I?
The molecular formula of Aureobasidin I is C60H92N8O11.
What is the molecular weight of Aureobasidin I?
The molecular weight of Aureobasidin I is 1100.6886 g/mol.
Where can I buy Aureobasidin I?
You can request a quote for Aureobasidin I directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Aureobasidin I?
Yes, CoreyChem provides custom synthesis services for Aureobasidin I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.