Aureobasidin S3
TL;DR: Aureobasidin S3 (CAS 18903-25-8) 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.
3,6-dibenzyl-24-butan-2-yl-12-(1-hydroxybutan-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 S3, 3,6-dibenzyl-24-butan-2-yl-12-(1-hydroxybutan-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, 21,24-dibenzyl-3-(butan-2-yl)-15-(1-hydroxybutan-2-yl)-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 | 7.3 |
| Topological Polar Surface Area | 256.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 14 |
| Exact Mass | 1116.6835 |
| Heavy Atoms | 80 |
| Complexity | 2130.0 |
Chemical Identifiers
| CAS Number | 18903-25-8 |
|---|---|
| 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=CC=C3)C)CC4=CC=CC=C4)C(C)C)C)C(CC)CO)C(C)(C)O)C)CC(C)C)C(C)C)C |
| InChIKey | CSEWOAIMQFNFGS-UHFFFAOYSA-N |
Product Overview
Aureobasidin S3 (CAS 18903-25-8), with molecular formula C60H92N8O12 and molecular weight 1116.68 g/mol. IUPAC: 3,6-dibenzyl-24-butan-2-yl-12-(1-hydroxybutan-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 S3
Property Insights of Aureobasidin S3
The XLogP value of 7.3 indicates that Aureobasidin S3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 256.0 Ų indicates high polarity, suggesting Aureobasidin S3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aureobasidin S3 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 S3?
The CAS number of Aureobasidin S3 is 18903-25-8.
What is the molecular formula of Aureobasidin S3?
The molecular formula of Aureobasidin S3 is C60H92N8O12.
What is the molecular weight of Aureobasidin S3?
The molecular weight of Aureobasidin S3 is 1116.68 g/mol.
Where can I buy Aureobasidin S3?
You can request a quote for Aureobasidin S3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aureobasidin S3?
Yes, KEHONG BIO provides custom synthesis services for Aureobasidin S3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.