6-Deoxy-6-cyclo(histidyl-leucyl)cyclodextrin
TL;DR: 6-Deoxy-6-cyclo(histidyl-leucyl)cyclodextrin (CAS 144363-91-7) is a chemical compound with molecular formula C216H402N16O173 and molecular weight 5988.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetrakis(3-(2-methylpropyl)-6-[[1-[[36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,20,25,30,35-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methyl]imidazol-4-yl]methyl]piperazine-2,5-dione);nonacosahydrate
Also Known As: Chl-betacd, 6-Deoxy-6-cyclo(histidyl-leucyl)cyclodextrin, C54H86N4O36.29/4H2O, 6-Deoxy-6-cyclo(L-his-L-leu)-beta-cyclodextrin, hydrate (4:29), C54-H86-N4-O36.29/4H2-O
| Molecular Formula | C216H402N16O173 |
|---|---|
| Molecular Weight | 5988.31 g/mol |
| LogP | -82.9339 |
| Topological Polar Surface Area | 3352.86 Ų |
| Hydrogen Bond Donors | 88 |
| Hydrogen Bond Acceptors | 148 |
| Rotatable Bonds | 48 |
| Exact Mass | 5988.315 |
| Heavy Atoms | 405 |
| Complexity | 11761.325 |
Chemical Identifiers
| CAS Number | 144363-91-7 |
|---|---|
| SMILES | CC(C)CC1C(=O)NC(C(=O)N1)CC2=CN(C=N2)CC3C4C(C(C(O3)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(C(C8O)O)OC9C(OC(C(C9O)O)OC1C(OC(O4)C(C1O)O)CO)CO)CO)CO)CO)CO)O)O.CC(C)CC1C(=O)NC(C(=O)N1)CC2=CN(C=N2)CC3C4C(C(C(O3)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(C(C8O)O)OC9C(OC(C(C9O)O)OC1C(OC(O4)C(C1O)O)CO)CO)CO)CO)CO)CO)O)O.CC(C)CC1C(=O)NC(C(=O)N1)CC2=CN(C=N2)CC3C4C(C(C(O3)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(C(C8O)O)OC9C(OC(C(C9O)O)OC1C(OC(O4)C(C1O)O)CO)CO)CO)CO)CO)CO)O)O.CC(C)CC1C(=O)NC(C(=O)N1)CC2=CN(C=N2)CC3C4C(C(C(O3)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(C(C8O)O)OC9C(OC(C(C9O)O)OC1C(OC(O4)C(C1O)O)CO)CO)CO)CO)CO)CO)O)O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O |
Product Overview
6-Deoxy-6-cyclo(histidyl-leucyl)cyclodextrin (CAS 144363-91-7), with molecular formula C216H402N16O173 and molecular weight 5988.31 g/mol. IUPAC: tetrakis(3-(2-methylpropyl)-6-[[1-[[36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,20,25,30,35-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methyl]imidazol-4-yl]methyl]piperazine-2,5-dione);nonacosahydrate.
Chemical Property Profile of 6-Deoxy-6-cyclo(histidyl-leucyl)cyclodextrin
Property Insights of 6-Deoxy-6-cyclo(histidyl-leucyl)cyclodextrin
The XLogP value of -82.9339 indicates that 6-Deoxy-6-cyclo(histidyl-leucyl)cyclodextrin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 3352.86 Ų indicates high polarity, suggesting 6-Deoxy-6-cyclo(histidyl-leucyl)cyclodextrin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-Deoxy-6-cyclo(histidyl-leucyl)cyclodextrin has 88 hydrogen bond donor(s) and 148 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-Deoxy-6-cyclo(histidyl-leucyl)cyclodextrin?
The CAS number of 6-Deoxy-6-cyclo(histidyl-leucyl)cyclodextrin is 144363-91-7.
What is the molecular formula of 6-Deoxy-6-cyclo(histidyl-leucyl)cyclodextrin?
The molecular formula of 6-Deoxy-6-cyclo(histidyl-leucyl)cyclodextrin is C216H402N16O173.
What is the molecular weight of 6-Deoxy-6-cyclo(histidyl-leucyl)cyclodextrin?
The molecular weight of 6-Deoxy-6-cyclo(histidyl-leucyl)cyclodextrin is 5988.31 g/mol.
Where can I buy 6-Deoxy-6-cyclo(histidyl-leucyl)cyclodextrin?
You can request a quote for 6-Deoxy-6-cyclo(histidyl-leucyl)cyclodextrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Deoxy-6-cyclo(histidyl-leucyl)cyclodextrin?
Yes, KEHONG BIO provides custom synthesis services for 6-Deoxy-6-cyclo(histidyl-leucyl)cyclodextrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.