Antibiotic R 106IIa
TL;DR: Antibiotic R 106IIa (CAS 127939-17-7) is a chemical compound with molecular formula C59H90N8O11 and molecular weight 1086.67 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-dibenzyl-15-(2-hydroxypropan-2-yl)-4,10,16,22-tetramethyl-18,24-bis(2-methylpropyl)-9,12,21-tri(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 B, Antibiotic R 106IIa, (R)-1-(N-(2-Hydroxy-3-methyl-1-oxobutyl)-N-methyl-L-valine)aureobasidin A, Aureobasidin A, 1-(N-(2-hydroxy-3-methyl-1-oxobutyl)-N-methyl-L-valine)-, (R)-, 3,6-dibenzyl-15-(2-hydroxypropan-2-yl)-4,10,16,22-tetramethyl-18,24-bis(2-methylpropyl)-9,12,21-tri(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 | C59H90N8O11 |
|---|---|
| Molecular Weight | 1086.67 g/mol |
| LogP | 3.9817 |
| Topological Polar Surface Area | 235.38 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Exact Mass | 1086.6729 |
| Heavy Atoms | 78 |
| Complexity | 2408.0894 |
Chemical Identifiers
| CAS Number | 127939-17-7 |
|---|---|
| SMILES | CC(C)CC1C(=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)C)C(C)(C)O)C)CC(C)C)C(C)C)C |
Product Overview
Antibiotic R 106IIa (CAS 127939-17-7), with molecular formula C59H90N8O11 and molecular weight 1086.67 g/mol. IUPAC: 3,6-dibenzyl-15-(2-hydroxypropan-2-yl)-4,10,16,22-tetramethyl-18,24-bis(2-methylpropyl)-9,12,21-tri(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 Antibiotic R 106IIa
Property Insights of Antibiotic R 106IIa
The XLogP value of 3.9817 indicates that Antibiotic R 106IIa is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 235.38 Ų indicates high polarity, suggesting Antibiotic R 106IIa may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Antibiotic R 106IIa 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 Antibiotic R 106IIa?
The CAS number of Antibiotic R 106IIa is 127939-17-7.
What is the molecular formula of Antibiotic R 106IIa?
The molecular formula of Antibiotic R 106IIa is C59H90N8O11.
What is the molecular weight of Antibiotic R 106IIa?
The molecular weight of Antibiotic R 106IIa is 1086.67 g/mol.
Where can I buy Antibiotic R 106IIa?
You can request a quote for Antibiotic R 106IIa directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Antibiotic R 106IIa?
Yes, KEHONG BIO provides custom synthesis services for Antibiotic R 106IIa and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.