Milbemycin B, 5-demethoxy-28-deoxy-6,28-epoxy-25-methyl-5-oxo-, (6S,25R)-
TL;DR: Milbemycin B, 5-demethoxy-28-deoxy-6,28-epoxy-25-methyl-5-oxo-, (6S,25R)- (CAS 86691-98-7) is a chemical compound with molecular formula C31H42O7 and molecular weight 526.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,4S,5'S,6R,6'R,8R,10E,13R,14E,16E,20S,24S)-24-hydroxy-5',6',11,13,22-pentamethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2,21-dione
Also Known As: Milbemycin J, 20-oxomilbemycin A3, Milbemycin oxime EP Impurity F, Milbemycin B, 5-demethoxy-28-deoxy-6,28-epoxy-25-methyl-5-oxo-, (6S,25R)-, (1R,4S,5'S,6R,6'R,8R,10E,13R,14E,16E,20S,24S)-24-hydroxy-5',6',11,13,22-pentamethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2,21-dione
| Molecular Formula | C31H42O7 |
|---|---|
| Molecular Weight | 526.29 g/mol |
| LogP | 4.7424 |
| Topological Polar Surface Area | 91.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 526.293 |
| Heavy Atoms | 38 |
| Complexity | 1085.7861 |
Chemical Identifiers
| CAS Number | 86691-98-7 |
|---|---|
| SMILES | C[C@H]1CC[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(C5=O)C)C(=O)O3)O)C)\C)O[C@@H]1C |
Product Overview
Milbemycin B, 5-demethoxy-28-deoxy-6,28-epoxy-25-methyl-5-oxo-, (6S,25R)- (CAS 86691-98-7), with molecular formula C31H42O7 and molecular weight 526.29 g/mol. IUPAC: (1R,4S,5'S,6R,6'R,8R,10E,13R,14E,16E,20S,24S)-24-hydroxy-5',6',11,13,22-pentamethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2,21-dione.
Chemical Property Profile of Milbemycin B, 5-demethoxy-28-deoxy-6,28-epoxy-25-methyl-5-oxo-, (6S,25R)-
Property Insights of Milbemycin B, 5-demethoxy-28-deoxy-6,28-epoxy-25-methyl-5-oxo-, (6S,25R)-
The XLogP value of 4.7424 indicates that Milbemycin B, 5-demethoxy-28-deoxy-6,28-epoxy-25-methyl-5-oxo-, (6S,25R)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.29 Ų falls within the moderate polarity range, balancing permeability and solubility for Milbemycin B, 5-demethoxy-28-deoxy-6,28-epoxy-25-methyl-5-oxo-, (6S,25R)-. Following Lipinski's Rule of Five, Milbemycin B, 5-demethoxy-28-deoxy-6,28-epoxy-25-methyl-5-oxo-, (6S,25R)- has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Milbemycin B, 5-demethoxy-28-deoxy-6,28-epoxy-25-methyl-5-oxo-, (6S,25R)-?
The CAS number of Milbemycin B, 5-demethoxy-28-deoxy-6,28-epoxy-25-methyl-5-oxo-, (6S,25R)- is 86691-98-7.
What is the molecular formula of Milbemycin B, 5-demethoxy-28-deoxy-6,28-epoxy-25-methyl-5-oxo-, (6S,25R)-?
The molecular formula of Milbemycin B, 5-demethoxy-28-deoxy-6,28-epoxy-25-methyl-5-oxo-, (6S,25R)- is C31H42O7.
What is the molecular weight of Milbemycin B, 5-demethoxy-28-deoxy-6,28-epoxy-25-methyl-5-oxo-, (6S,25R)-?
The molecular weight of Milbemycin B, 5-demethoxy-28-deoxy-6,28-epoxy-25-methyl-5-oxo-, (6S,25R)- is 526.29 g/mol.
Where can I buy Milbemycin B, 5-demethoxy-28-deoxy-6,28-epoxy-25-methyl-5-oxo-, (6S,25R)-?
You can request a quote for Milbemycin B, 5-demethoxy-28-deoxy-6,28-epoxy-25-methyl-5-oxo-, (6S,25R)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Milbemycin B, 5-demethoxy-28-deoxy-6,28-epoxy-25-methyl-5-oxo-, (6S,25R)-?
Yes, KEHONG BIO provides custom synthesis services for Milbemycin B, 5-demethoxy-28-deoxy-6,28-epoxy-25-methyl-5-oxo-, (6S,25R)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.