Cyclosporine A acetate
TL;DR: Cyclosporine A acetate (CAS 83602-41-9) is a chemical compound with molecular formula C64H113N11O13 and molecular weight 1243.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E,1R,2R)-1-[(2S,5S,11S,14S,17S,20S,23R,26S,29S,32S)-5-ethyl-1,7,10,16,20,23,25,26,31-nonamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,32-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]-2-methylhex-4-enyl] acetate
Also Known As: OACsA, Cyclosporin A Acetate, Cyclosporine A acetate, Cyclosporin A, 6-acetate, O-Acetyl C(9) cyclosporin A
| Molecular Formula | C64H113N11O13 |
|---|---|
| Molecular Weight | 1243.85 g/mol |
| LogP | 3.8877 |
| Topological Polar Surface Area | 293.66 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 16 |
| Exact Mass | 1243.8519 |
| Heavy Atoms | 88 |
| Complexity | 2465.1567 |
Chemical Identifiers
| CAS Number | 83602-41-9 |
|---|---|
| SMILES | CC[C@H]1C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@@](C(=O)N[C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)OC(=O)C)C)C(C)C)C)CC(C)C)(C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C |
Product Overview
Cyclosporine A acetate (CAS 83602-41-9), with molecular formula C64H113N11O13 and molecular weight 1243.85 g/mol. IUPAC: [(E,1R,2R)-1-[(2S,5S,11S,14S,17S,20S,23R,26S,29S,32S)-5-ethyl-1,7,10,16,20,23,25,26,31-nonamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,32-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]-2-methylhex-4-enyl] acetate.
Chemical Property Profile of Cyclosporine A acetate
Property Insights of Cyclosporine A acetate
The XLogP value of 3.8877 indicates that Cyclosporine A acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 293.66 Ų indicates high polarity, suggesting Cyclosporine A acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cyclosporine A acetate has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cyclosporine A acetate?
The CAS number of Cyclosporine A acetate is 83602-41-9.
What is the molecular formula of Cyclosporine A acetate?
The molecular formula of Cyclosporine A acetate is C64H113N11O13.
What is the molecular weight of Cyclosporine A acetate?
The molecular weight of Cyclosporine A acetate is 1243.85 g/mol.
Where can I buy Cyclosporine A acetate?
You can request a quote for Cyclosporine A acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclosporine A acetate?
Yes, KEHONG BIO provides custom synthesis services for Cyclosporine A acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.