(6R,22S,23R,25R)-5-O-Demethyl-28-deoxy-6,28-epoxy-22-hydroxy-25-methyl-23-((2-methyl-1-oxohexyl)oxy)milbemycin B
TL;DR: (6R,22S,23R,25R)-5-O-Demethyl-28-deoxy-6,28-epoxy-22-hydroxy-25-methyl-23-((2-methyl-1-oxohexyl)oxy)milbemycin B (CAS 51798-80-2) is a chemical compound with molecular formula C38H56O9 and molecular weight 656.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,3'S,4S,4'R,5'R,6S,6'R,8R,10Z,13R,14Z,16E,20S)-3',21-dihydroxy-5',6',11,13,22-pentamethyl-2-oxospiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-4'-yl] 2-methylhexanoate
Also Known As: (6R,22S,23R,25R)-5-O-Demethyl-28-deoxy-6,28-epoxy-22-hydroxy-25-methyl-23-((2-methyl-1-oxohexyl)oxy)milbemycin B, Milbemycin B, 5-O-demethyl-28-deoxy-6,28-epoxy-22-hydroxy-25-methyl-23-((2-methyl-1-oxohexyl)oxy)-, (6R,22S,23R,25R)-
| Molecular Formula | C38H56O9 |
|---|---|
| Molecular Weight | 656.39 g/mol |
| LogP | 5.7381 |
| Topological Polar Surface Area | 120.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 656.39246 |
| Heavy Atoms | 47 |
| Complexity | 1267.4279 |
Chemical Identifiers
| CAS Number | 51798-80-2 |
|---|---|
| SMILES | CCCCC(C)C(=O)O[C@@H]1[C@@H]([C@H](O[C@]2([C@H]1O)C[C@@H]3C[C@H](O2)C/C=C(\C[C@H](/C=C\C=C/4\CO[C@H]5C4[C@@H](C=C(C5O)C)C(=O)O3)C)/C)C)C |
Product Overview
(6R,22S,23R,25R)-5-O-Demethyl-28-deoxy-6,28-epoxy-22-hydroxy-25-methyl-23-((2-methyl-1-oxohexyl)oxy)milbemycin B (CAS 51798-80-2), with molecular formula C38H56O9 and molecular weight 656.39 g/mol. IUPAC: [(1R,3'S,4S,4'R,5'R,6S,6'R,8R,10Z,13R,14Z,16E,20S)-3',21-dihydroxy-5',6',11,13,22-pentamethyl-2-oxospiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-4'-yl] 2-methylhexanoate.
Chemical Property Profile of (6R,22S,23R,25R)-5-O-Demethyl-28-deoxy-6,28-epoxy-22-hydroxy-25-methyl-23-((2-methyl-1-oxohexyl)oxy)milbemycin B
Property Insights of (6R,22S,23R,25R)-5-O-Demethyl-28-deoxy-6,28-epoxy-22-hydroxy-25-methyl-23-((2-methyl-1-oxohexyl)oxy)milbemycin B
The XLogP value of 5.7381 indicates that (6R,22S,23R,25R)-5-O-Demethyl-28-deoxy-6,28-epoxy-22-hydroxy-25-methyl-23-((2-methyl-1-oxohexyl)oxy)milbemycin B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.75 Ų falls within the moderate polarity range, balancing permeability and solubility for (6R,22S,23R,25R)-5-O-Demethyl-28-deoxy-6,28-epoxy-22-hydroxy-25-methyl-23-((2-methyl-1-oxohexyl)oxy)milbemycin B. Following Lipinski's Rule of Five, (6R,22S,23R,25R)-5-O-Demethyl-28-deoxy-6,28-epoxy-22-hydroxy-25-methyl-23-((2-methyl-1-oxohexyl)oxy)milbemycin B has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (6R,22S,23R,25R)-5-O-Demethyl-28-deoxy-6,28-epoxy-22-hydroxy-25-methyl-23-((2-methyl-1-oxohexyl)oxy)milbemycin B?
The CAS number of (6R,22S,23R,25R)-5-O-Demethyl-28-deoxy-6,28-epoxy-22-hydroxy-25-methyl-23-((2-methyl-1-oxohexyl)oxy)milbemycin B is 51798-80-2.
What is the molecular formula of (6R,22S,23R,25R)-5-O-Demethyl-28-deoxy-6,28-epoxy-22-hydroxy-25-methyl-23-((2-methyl-1-oxohexyl)oxy)milbemycin B?
The molecular formula of (6R,22S,23R,25R)-5-O-Demethyl-28-deoxy-6,28-epoxy-22-hydroxy-25-methyl-23-((2-methyl-1-oxohexyl)oxy)milbemycin B is C38H56O9.
What is the molecular weight of (6R,22S,23R,25R)-5-O-Demethyl-28-deoxy-6,28-epoxy-22-hydroxy-25-methyl-23-((2-methyl-1-oxohexyl)oxy)milbemycin B?
The molecular weight of (6R,22S,23R,25R)-5-O-Demethyl-28-deoxy-6,28-epoxy-22-hydroxy-25-methyl-23-((2-methyl-1-oxohexyl)oxy)milbemycin B is 656.39 g/mol.
Where can I buy (6R,22S,23R,25R)-5-O-Demethyl-28-deoxy-6,28-epoxy-22-hydroxy-25-methyl-23-((2-methyl-1-oxohexyl)oxy)milbemycin B?
You can request a quote for (6R,22S,23R,25R)-5-O-Demethyl-28-deoxy-6,28-epoxy-22-hydroxy-25-methyl-23-((2-methyl-1-oxohexyl)oxy)milbemycin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6R,22S,23R,25R)-5-O-Demethyl-28-deoxy-6,28-epoxy-22-hydroxy-25-methyl-23-((2-methyl-1-oxohexyl)oxy)milbemycin B?
Yes, KEHONG BIO provides custom synthesis services for (6R,22S,23R,25R)-5-O-Demethyl-28-deoxy-6,28-epoxy-22-hydroxy-25-methyl-23-((2-methyl-1-oxohexyl)oxy)milbemycin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.