Aureobasidin T1
TL;DR: Aureobasidin T1 (CAS 158412-72-7) 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.
(3S,6S,9S,12R,15S,18S,21S,24S,27S)-3,6-dibenzyl-24-[(2R)-butan-2-yl]-12-[(2S)-butan-2-yl]-15-(2-hydroxypropan-2-yl)-4,10,16,22-tetramethyl-18-(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 T1, Basifungin, (3S,6S,9S,12R,15S,18S,21S,24S,27S)-3,6-dibenzyl-24-[(2R)-butan-2-yl]-12-[(2S)-butan-2-yl]-15-(2-hydroxypropan-2-yl)-4,10,16,22-tetramethyl-18-(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, (3S,6S,9S,12R,15S,18S,21S,24S,27S)-3,6-dibenzyl-24-((2R)-butan-2-yl)-12-((2S)-butan-2-yl)-15-(2-hydroxypropan-2-yl)-4,10,16,22-tetramethyl-18-(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, (3S,6S,9S,12S,15R,18S,21S,24S,29aS)-21,24-dibenzyl-3-[(2R)-butan-2-yl]-15-[(2S)-butan-2-yl]-12-(2-hydroxypropan-2-yl)-5,11,17,23-tetramethyl-9-(2-methylpropyl)-6,18-bis(propan-2-yl)-octacosahydropyrrolo[1,2-m]1-oxa-4,7,10,13,16,19,22,25-octaazacycloheptacosane-1,4,7,10,13,16,19,22,25-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 | 2110.0 |
| SMILES | CC[C@@H](C)[C@H]1C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N2CCC[C@H]2C(=O)N1)CC3=CC=CC=C3)C)CC4=CC=CC=C4)C(C)C)C)[C@@H](C)CC)C(C)(C)O)C)CC(C)C)C(C)C)C |
| InChIKey | RLMLFADXHJLPSQ-QLLGQPFOSA-N |
Chemical Property Profile of Aureobasidin T1
Property Insights of Aureobasidin T1
The XLogP value of 8.5 indicates that Aureobasidin T1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 235.0 Ų indicates high polarity, suggesting Aureobasidin T1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aureobasidin T1 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 T1?
The CAS number of Aureobasidin T1 is 158412-72-7.
What is the molecular formula of Aureobasidin T1?
The molecular formula of Aureobasidin T1 is C60H92N8O11.
What is the molecular weight of Aureobasidin T1?
The molecular weight of Aureobasidin T1 is 1100.6886 g/mol.
Where can I buy Aureobasidin T1?
You can request a quote for Aureobasidin T1 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Aureobasidin T1?
Yes, CoreyChem provides custom synthesis services for Aureobasidin T1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.