Aureobasidin E
TL;DR: Aureobasidin E (CAS 144302-34-1) is a chemical compound with molecular formula C60H92N8O12 and molecular weight 1116.68 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6S,9S,12R,15S,18S,21S,24S,27S)-6-benzyl-12,24-bis[(2R)-butan-2-yl]-3-[(S)-hydroxy(phenyl)methyl]-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 E, 3-(beta-Hydroxy-N-methyl-L-phenylalanine)aureobasidin A, Aureobasidin A, 3-(beta-hydroxy-N-methyl-L-phenylalanine)-, Aureobasidin A, 3-(erythro-beta-hydroxy-N-methyl-L-phenylalanine)-, (6S,9S,12R,15S,18S,21S,24S,27S)-6-benzyl-12,24-bis((2R)-butan-2-yl)-3-((S)-hydroxy(phenyl)methyl)-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
| Molecular Formula | C60H92N8O12 |
|---|---|
| Molecular Weight | 1116.68 g/mol |
| LogP | 8.0 |
| Topological Polar Surface Area | 256.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Exact Mass | 1116.6835 |
| Heavy Atoms | 80 |
| Complexity | 2140.0 |
Chemical Identifiers
| CAS Number | 144302-34-1 |
|---|---|
| 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(C(=O)N2CCC[C@H]2C(=O)N1)[C@H](C3=CC=CC=C3)O)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 | CCOLHNQBJDUNIC-IJYBSRRDSA-N |
Product Overview
Aureobasidin E (CAS 144302-34-1), with molecular formula C60H92N8O12 and molecular weight 1116.68 g/mol. IUPAC: (6S,9S,12R,15S,18S,21S,24S,27S)-6-benzyl-12,24-bis[(2R)-butan-2-yl]-3-[(S)-hydroxy(phenyl)methyl]-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 E
Property Insights of Aureobasidin E
The XLogP value of 8.0 indicates that Aureobasidin E is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 256.0 Ų indicates high polarity, suggesting Aureobasidin E may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aureobasidin E has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Aureobasidin E?
The CAS number of Aureobasidin E is 144302-34-1.
What is the molecular formula of Aureobasidin E?
The molecular formula of Aureobasidin E is C60H92N8O12.
What is the molecular weight of Aureobasidin E?
The molecular weight of Aureobasidin E is 1116.68 g/mol.
Where can I buy Aureobasidin E?
You can request a quote for Aureobasidin E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aureobasidin E?
Yes, KEHONG BIO provides custom synthesis services for Aureobasidin E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.