Abamectin
TL;DR: Abamectin (CAS 86753-29-9) is a chemical compound with molecular formula C95H142O28 and molecular weight 1730.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-[(2S)-butan-2-yl]-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-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;(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethyl-2-propan-2-ylspiro[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: Abamectin, avermectin B1, Avomec, Abamectina, Abamectine
| Molecular Formula | C95H142O28 |
|---|---|
| Molecular Weight | 1730.97 g/mol |
| LogP | 10.3647 |
| Topological Polar Surface Area | 340.12 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 28 |
| Rotatable Bonds | 15 |
| Exact Mass | 1730.9688 |
| Heavy Atoms | 123 |
| Complexity | 3922.1396 |
Chemical Identifiers
| CAS Number | 86753-29-9 |
|---|---|
| SMILES | CC[C@H](C)[C@@H]1[C@H](C=C[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)C.C[C@H]1/C=C/C=C/2\CO[C@H]3[C@@]2([C@@H](C=C([C@H]3O)C)C(=O)O[C@H]4C[C@@H](C/C=C(/[C@H]1O[C@H]5C[C@@H]([C@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O)OC)OC)\C)O[C@]7(C4)C=C[C@@H]([C@H](O7)C(C)C)C)O |
Product Overview
Abamectin (CAS 86753-29-9), with molecular formula C95H142O28 and molecular weight 1730.97 g/mol. IUPAC: (1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-[(2S)-butan-2-yl]-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-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;(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethyl-2-propan-2-ylspiro[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 Abamectin
Property Insights of Abamectin
The XLogP value of 10.3647 indicates that Abamectin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 340.12 Ų indicates high polarity, suggesting Abamectin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Abamectin has 6 hydrogen bond donor(s) and 28 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Abamectin?
The CAS number of Abamectin is 86753-29-9.
What is the molecular formula of Abamectin?
The molecular formula of Abamectin is C95H142O28.
What is the molecular weight of Abamectin?
The molecular weight of Abamectin is 1730.97 g/mol.
Where can I buy Abamectin?
You can request a quote for Abamectin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Abamectin?
Yes, KEHONG BIO provides custom synthesis services for Abamectin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.