TL;DR: UK 78624 (CAS 127346-82-1) is a chemical compound with molecular formula C38H54O10 and molecular weight 670.3717 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3'R,4S,5'S,6S,6'S,8R,10E,13S,14E,16E,20R,21R,24S)-6'-[(E)-but-2-en-2-yl]-3',21,24-trihydroxy-5',11,13,22-tetramethyl-2-oxospiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-12-yl] 2-methylpropanoate
Also Known As: UK 78624, [(3'R,4S,5'S,6S,6'S,8R,10E,13S,14E,16E,20R,21R,24S)-6'-[(E)-but-2-en-2-yl]-3',21,24-trihydroxy-5',11,13,22-tetramethyl-2-oxospiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-12-yl] 2-methylpropanoate, Milbemycin B, 5-O-demethyl-28-deoxy-6,28-epoxy-22-hydroxy-13-(2-methyl-1-oxopropoxy)-25-(1-methyl-1-propenyl)-, (6R,13R,22R,25S)-
| Molecular Formula | C38H54O10 |
| Molecular Weight | 670.3717 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 141.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 670.3717 Da |
| Heavy Atoms | 48 |
| Complexity | 1390.0 |
| SMILES | C/C=C(\C)/[C@@H]1[C@H](C[C@H]([C@@]2(O1)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(C=C([C@H]5O)C)C(=O)O3)O)C)OC(=O)C(C)C)\C)O)C |
| InChIKey | AAYIADJXSCBLCS-UGTGVFQFSA-N |
The XLogP value of 3.7 indicates that UK 78624 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.0 Ų indicates high polarity, suggesting UK 78624 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, UK 78624 has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of UK 78624 is 127346-82-1.
The molecular formula of UK 78624 is C38H54O10.
The molecular weight of UK 78624 is 670.3717 g/mol.
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