Aureobasidin S2a
TL;DR: Aureobasidin S2a (CAS 1889-30-1) 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.
6-benzyl-12,24-di(butan-2-yl)-3-[(4-hydroxyphenyl)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 S2a, Aureobasidin S2a (9CI), 6-benzyl-12,24-di(butan-2-yl)-3-[(4-hydroxyphenyl)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, 21-benzyl-3,15-di(butan-2-yl)-24-(4-hydroxybenzyl)-12-(2-hydroxypropan-2-yl)-5,11,17,23-tetramethyl-9-(2-methylpropyl)-6,18-di(propan-2-yl)octadecahydro-1h,15h-pyrrolo[1,2-m][1,4,7,10,13,16,19,22,25]oxaoctaazacycloheptacosine-1,4,7,10,13,16,19,22,25-nonone
| Molecular Formula | C60H92N8O12 |
|---|---|
| Molecular Weight | 1116.68 g/mol |
| LogP | 8.2 |
| 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 | 1889-30-1 |
|---|---|
| SMILES | CCC(C)C1C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)N2CCCC2C(=O)N1)CC3=CC=C(C=C3)O)C)CC4=CC=CC=C4)C(C)C)C)C(C)CC)C(C)(C)O)C)CC(C)C)C(C)C)C |
| InChIKey | AZWNOPVZWSHWAA-UHFFFAOYSA-N |
Product Overview
Aureobasidin S2a (CAS 1889-30-1), with molecular formula C60H92N8O12 and molecular weight 1116.68 g/mol. IUPAC: 6-benzyl-12,24-di(butan-2-yl)-3-[(4-hydroxyphenyl)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 S2a
Property Insights of Aureobasidin S2a
The XLogP value of 8.2 indicates that Aureobasidin S2a is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 256.0 Ų indicates high polarity, suggesting Aureobasidin S2a may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aureobasidin S2a 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 S2a?
The CAS number of Aureobasidin S2a is 1889-30-1.
What is the molecular formula of Aureobasidin S2a?
The molecular formula of Aureobasidin S2a is C60H92N8O12.
What is the molecular weight of Aureobasidin S2a?
The molecular weight of Aureobasidin S2a is 1116.68 g/mol.
Where can I buy Aureobasidin S2a?
You can request a quote for Aureobasidin S2a directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aureobasidin S2a?
Yes, KEHONG BIO provides custom synthesis services for Aureobasidin S2a and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.