Avermectin B(1)a
TL;DR: Avermectin B(1)a (CAS 113665-89-7) is a chemical compound with molecular formula C48H72O14 and molecular weight 872.49 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S,4'S,6S,8'R,10'E,13'S,14'E,16'E,20'R,21'R,24'S)-2-butan-2-yl-21',24'-dihydroxy-12'-[5-(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: Avermectin B(1)a, 8,9-Z-Abamectin B1a, Avermectin A1a, 5-O-demethyl-, (8Z)-, (2R,3S,4'S,6S,8'R,10'E,13'S,14'E,16'E,20'R,21'R,24'S)-2-Butan-2-yl-21',24'-dihydroxy-12'-[5-(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
| Molecular Formula | C48H72O14 |
|---|---|
| Molecular Weight | 872.49 g/mol |
| LogP | 5.3774 |
| Topological Polar Surface Area | 170.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 872.4922 |
| Heavy Atoms | 62 |
| Complexity | 1725.6376 |
Chemical Identifiers
| CAS Number | 113665-89-7 |
|---|---|
| SMILES | CCC(C)[C@@H]1[C@H](C=C[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)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)\C)C |
Product Overview
Avermectin B(1)a (CAS 113665-89-7), with molecular formula C48H72O14 and molecular weight 872.49 g/mol. IUPAC: (2R,3S,4'S,6S,8'R,10'E,13'S,14'E,16'E,20'R,21'R,24'S)-2-butan-2-yl-21',24'-dihydroxy-12'-[5-(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.
Chemical Property Profile of Avermectin B(1)a
Property Insights of Avermectin B(1)a
The XLogP value of 5.3774 indicates that Avermectin B(1)a is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 170.06 Ų indicates high polarity, suggesting Avermectin B(1)a may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Avermectin B(1)a has 3 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Avermectin B(1)a?
The CAS number of Avermectin B(1)a is 113665-89-7.
What is the molecular formula of Avermectin B(1)a?
The molecular formula of Avermectin B(1)a is C48H72O14.
What is the molecular weight of Avermectin B(1)a?
The molecular weight of Avermectin B(1)a is 872.49 g/mol.
Where can I buy Avermectin B(1)a?
You can request a quote for Avermectin B(1)a directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Avermectin B(1)a?
Yes, KEHONG BIO provides custom synthesis services for Avermectin B(1)a and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.