Doramectin
TL;DR: Doramectin (CAS 117704-25-3) is a chemical compound with molecular formula C50H74O14 and molecular weight 898.5079 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1'R,2R,3S,4'S,6S,8'R,10'E,13'S,14'E,16'E,20'R,21'R,24'S)-2-cyclohexyl-21',24'-dihydroxy-12'-[(2R,4S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one
Also Known As: Doramectin, Doramectina, Doramectine, Doramectinum, Dectomax
Technical Specifications
| Molecular Formula | C50H74O14 |
| Molecular Weight | 898.5079 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 170.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 898.5079 Da |
| Heavy Atoms | 64 |
| Complexity | 1790.0 |
| SMILES | C[C@H]1C=C[C@]2(C[C@@H]3C[C@H](O2)C/C=C(/C([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H](C([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)O[C@@H]1C8CCCCC8 |
| InChIKey | QLFZZSKTJWDQOS-NJPOTTGESA-N |
Chemical Property Profile of Doramectin
Property Insights of Doramectin
The XLogP value of 4.5 indicates that Doramectin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 170.0 Ų indicates high polarity, suggesting Doramectin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Doramectin has 3 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Doramectin?
The CAS number of Doramectin is 117704-25-3.
What is the molecular formula of Doramectin?
The molecular formula of Doramectin is C50H74O14.
What is the molecular weight of Doramectin?
The molecular weight of Doramectin is 898.5079 g/mol.
Where can I buy Doramectin?
You can request a quote for Doramectin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Doramectin?
Yes, CoreyChem provides custom synthesis services for Doramectin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.