Avermectin A1b
TL;DR: Avermectin A1b (CAS 65195-52-0) 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.
(10'Z,14'E,16'E)-24'-hydroxy-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-21'-methoxy-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: Avermectin A1b, Antibiotic C 076A1b, Antibiotic C 076A(sub 1b), Avermectin A1a, 25-de(1-methylpropyl)-25-(1-methylethyl)-, (10'Z,14'E,16'E)-24'-Hydroxy-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-21'-methoxy-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
| Molecular Formula | C48H72O14 |
|---|---|
| Molecular Weight | 872.49 g/mol |
| LogP | 5.6414 |
| Topological Polar Surface Area | 159.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 872.4922 |
| Heavy Atoms | 62 |
| Complexity | 1723.6376 |
Chemical Identifiers
| CAS Number | 65195-52-0 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2[C@@H](O[C@H](C[C@@H]2OC)OC/3C(/C=C/C=C/4\COC5C4(C(C=C(C5OC)C)C(=O)OC6CC(C/C=C3/C)OC7(C6)C=CC(C(O7)C(C)C)C)O)C)C)OC)O |
Product Overview
Avermectin A1b (CAS 65195-52-0), with molecular formula C48H72O14 and molecular weight 872.49 g/mol. IUPAC: (10'Z,14'E,16'E)-24'-hydroxy-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-21'-methoxy-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 Avermectin A1b
Property Insights of Avermectin A1b
The XLogP value of 5.6414 indicates that Avermectin A1b is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 159.06 Ų indicates high polarity, suggesting Avermectin A1b may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Avermectin A1b has 2 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 A1b?
The CAS number of Avermectin A1b is 65195-52-0.
What is the molecular formula of Avermectin A1b?
The molecular formula of Avermectin A1b is C48H72O14.
What is the molecular weight of Avermectin A1b?
The molecular weight of Avermectin A1b is 872.49 g/mol.
Where can I buy Avermectin A1b?
You can request a quote for Avermectin A1b directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Avermectin A1b?
Yes, KEHONG BIO provides custom synthesis services for Avermectin A1b and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.