Aureobasidin S2b
TL;DR: Aureobasidin S2b (CAS 18896-73-6) 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-(4-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 S2b, 3,6-dibenzyl-24-butan-2-yl-12-(4-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-(4-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 | 18896-73-6 |
|---|---|
| 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(C)CCO)C(C)(C)O)C)CC(C)C)C(C)C)C |
| InChIKey | SJMVYAHBOJDUII-UHFFFAOYSA-N |
Product Overview
Aureobasidin S2b (CAS 18896-73-6), with molecular formula C60H92N8O12 and molecular weight 1116.68 g/mol. IUPAC: 3,6-dibenzyl-24-butan-2-yl-12-(4-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 S2b
Property Insights of Aureobasidin S2b
The XLogP value of 7.3 indicates that Aureobasidin S2b is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 256.0 Ų indicates high polarity, suggesting Aureobasidin S2b may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aureobasidin S2b 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 S2b?
The CAS number of Aureobasidin S2b is 18896-73-6.
What is the molecular formula of Aureobasidin S2b?
The molecular formula of Aureobasidin S2b is C60H92N8O12.
What is the molecular weight of Aureobasidin S2b?
The molecular weight of Aureobasidin S2b is 1116.68 g/mol.
Where can I buy Aureobasidin S2b?
You can request a quote for Aureobasidin S2b directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aureobasidin S2b?
Yes, KEHONG BIO provides custom synthesis services for Aureobasidin S2b and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.