1-N-palmitoyl-3''-N-(trifluoroacetyl)kanamycin A
TL;DR: 1-N-palmitoyl-3''-N-(trifluoroacetyl)kanamycin A (CAS 106190-45-8) is a chemical compound with molecular formula C36H65F3N4O13 and molecular weight 818.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-amino-2-[3-(aminomethyl)-4,5,6-trihydroxyoxan-2-yl]oxy-4-[3,5-dihydroxy-6-(hydroxymethyl)-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxy-3-hydroxycyclohexyl]hexadecanamide
Also Known As: 1-Ptaka, 1-N-Palmitoyl-3''-N-(trifluoroacetyl)kanamycin A, N-[5-amino-2-[3-(aminomethyl)-4,5,6-trihydroxyoxan-2-yl]oxy-4-[3,5-dihydroxy-6-(hydroxymethyl)-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxy-3-hydroxycyclohexyl]hexadecanamide, D-Streptamine, O-6-amino-6-deoxy-alpha-D-glucopyranosyl-(1-4)-O-(3-deoxy-3-((trifluoroacetyl)amino)-alpha-D-glucopyranosyl-(1-6)-2-deoxy-N3-(1-oxohexadecyl)-, RefChem:76449
| Molecular Formula | C36H65F3N4O13 |
|---|---|
| Molecular Weight | 818.45 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 289.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 22 |
| Exact Mass | 818.45 |
| Heavy Atoms | 56 |
| Complexity | 1170.0 |
Chemical Identifiers
| CAS Number | 106190-45-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)NC1CC(C(C(C1OC2C(C(C(C(O2)O)O)O)CN)O)OC3C(C(C(C(O3)CO)O)NC(=O)C(F)(F)F)O)N |
| InChIKey | FGENLTKUTXNKQY-UHFFFAOYSA-N |
Product Overview
1-N-palmitoyl-3''-N-(trifluoroacetyl)kanamycin A (CAS 106190-45-8), with molecular formula C36H65F3N4O13 and molecular weight 818.45 g/mol. IUPAC: N-[5-amino-2-[3-(aminomethyl)-4,5,6-trihydroxyoxan-2-yl]oxy-4-[3,5-dihydroxy-6-(hydroxymethyl)-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxy-3-hydroxycyclohexyl]hexadecanamide.
Chemical Property Profile of 1-N-palmitoyl-3''-N-(trifluoroacetyl)kanamycin A
Property Insights of 1-N-palmitoyl-3''-N-(trifluoroacetyl)kanamycin A
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-N-palmitoyl-3''-N-(trifluoroacetyl)kanamycin A. The TPSA of 289.0 Ų indicates high polarity, suggesting 1-N-palmitoyl-3''-N-(trifluoroacetyl)kanamycin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-N-palmitoyl-3''-N-(trifluoroacetyl)kanamycin A has 11 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-N-palmitoyl-3''-N-(trifluoroacetyl)kanamycin A?
The CAS number of 1-N-palmitoyl-3''-N-(trifluoroacetyl)kanamycin A is 106190-45-8.
What is the molecular formula of 1-N-palmitoyl-3''-N-(trifluoroacetyl)kanamycin A?
The molecular formula of 1-N-palmitoyl-3''-N-(trifluoroacetyl)kanamycin A is C36H65F3N4O13.
What is the molecular weight of 1-N-palmitoyl-3''-N-(trifluoroacetyl)kanamycin A?
The molecular weight of 1-N-palmitoyl-3''-N-(trifluoroacetyl)kanamycin A is 818.45 g/mol.
Where can I buy 1-N-palmitoyl-3''-N-(trifluoroacetyl)kanamycin A?
You can request a quote for 1-N-palmitoyl-3''-N-(trifluoroacetyl)kanamycin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-N-palmitoyl-3''-N-(trifluoroacetyl)kanamycin A?
Yes, KEHONG BIO provides custom synthesis services for 1-N-palmitoyl-3''-N-(trifluoroacetyl)kanamycin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.