Aureobasidin-A
TL;DR: Aureobasidin-A (CAS 127785-64-2) is a chemical compound with molecular formula C60H92N8O11 and molecular weight 1100.69 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,6S,9S,12S,15S,18S,21S,24R,27S)-3,6-dibenzyl-12,24-bis[(2R)-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: Basifungin, Aureobasidin A, Basifugin, Aureobasidin-A, Antibiotic R106I
| Molecular Formula | C60H92N8O11 |
|---|---|
| Molecular Weight | 1100.69 g/mol |
| LogP | 8.5 |
| Topological Polar Surface Area | 235.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 13 |
| Exact Mass | 1100.6886 |
| Heavy Atoms | 79 |
| Complexity | 2110.0 |
Chemical Identifiers
| CAS Number | 127785-64-2 |
|---|---|
| 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-NPPFTVEMSA-N |
Product Overview
Aureobasidin-A (CAS 127785-64-2), with molecular formula C60H92N8O11 and molecular weight 1100.69 g/mol. IUPAC: (3S,6S,9S,12S,15S,18S,21S,24R,27S)-3,6-dibenzyl-12,24-bis[(2R)-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.
Chemical Property Profile of Aureobasidin-A
Property Insights of Aureobasidin-A
The XLogP value of 8.5 indicates that Aureobasidin-A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 235.0 Ų indicates high polarity, suggesting Aureobasidin-A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aureobasidin-A has 4 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 Aureobasidin-A?
The CAS number of Aureobasidin-A is 127785-64-2.
What is the molecular formula of Aureobasidin-A?
The molecular formula of Aureobasidin-A is C60H92N8O11.
What is the molecular weight of Aureobasidin-A?
The molecular weight of Aureobasidin-A is 1100.69 g/mol.
Where can I buy Aureobasidin-A?
You can request a quote for Aureobasidin-A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aureobasidin-A?
Yes, KEHONG BIO provides custom synthesis services for Aureobasidin-A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.