Averectin B1a 8,9-oxide
TL;DR: Averectin B1a 8,9-oxide (CAS 98734-60-2) is a chemical compound with molecular formula C48H72O15 and molecular weight 888.49 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3'R,4E,6S,8E,11R,13R,15S,21R,22R,25R)-2'-butan-2-yl-21,25-dihydroxy-7-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-3',6,8,20-tetramethylspiro[2,12,16,23-tetraoxapentacyclo[16.6.1.111,15.01,3.022,25]hexacosa-4,8,19-triene-13,6'-2,3-dihydropyran]-17-one
Also Known As: Averectin B1a 8,9-oxide, Avermectin A1a, 5-O-demethyl-8,9-epoxy-8,9-dihydro-, (8R,9S)-
| Molecular Formula | C48H72O15 |
|---|---|
| Molecular Weight | 888.49 g/mol |
| LogP | 4.5886 |
| Topological Polar Surface Area | 182.59 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 8 |
| Exact Mass | 888.4871 |
| Heavy Atoms | 63 |
| Complexity | 1767.3331 |
Chemical Identifiers
| CAS Number | 98734-60-2 |
|---|---|
| SMILES | CCC(C)C1[C@@H](C=C[C@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/C([C@H](/C=C/C4C5(O4)CO[C@H]6[C@@]5(C(C=C([C@H]6O)C)C(=O)O3)O)C)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)O)OC)OC)\C)C |
Product Overview
Averectin B1a 8,9-oxide (CAS 98734-60-2), with molecular formula C48H72O15 and molecular weight 888.49 g/mol. IUPAC: (3'R,4E,6S,8E,11R,13R,15S,21R,22R,25R)-2'-butan-2-yl-21,25-dihydroxy-7-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-3',6,8,20-tetramethylspiro[2,12,16,23-tetraoxapentacyclo[16.6.1.111,15.01,3.022,25]hexacosa-4,8,19-triene-13,6'-2,3-dihydropyran]-17-one.
Chemical Property Profile of Averectin B1a 8,9-oxide
Property Insights of Averectin B1a 8,9-oxide
The XLogP value of 4.5886 indicates that Averectin B1a 8,9-oxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 182.59 Ų indicates high polarity, suggesting Averectin B1a 8,9-oxide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Averectin B1a 8,9-oxide has 3 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Averectin B1a 8,9-oxide?
The CAS number of Averectin B1a 8,9-oxide is 98734-60-2.
What is the molecular formula of Averectin B1a 8,9-oxide?
The molecular formula of Averectin B1a 8,9-oxide is C48H72O15.
What is the molecular weight of Averectin B1a 8,9-oxide?
The molecular weight of Averectin B1a 8,9-oxide is 888.49 g/mol.
Where can I buy Averectin B1a 8,9-oxide?
You can request a quote for Averectin B1a 8,9-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Averectin B1a 8,9-oxide?
Yes, KEHONG BIO provides custom synthesis services for Averectin B1a 8,9-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.