Avermectin A1a
TL;DR: Avermectin A1a (CAS 65195-51-9) is a chemical compound with molecular formula C49H74O14 and molecular weight 886.51 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,12'S,13'S,20'R,21'R,24'S)-2-butan-2-yl-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'-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 A1a, Antibiotic C 076A1a, Antibiotic C 076A(sub 1a)
| Molecular Formula | C49H74O14 |
|---|---|
| Molecular Weight | 886.51 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 9 |
| Exact Mass | 886.5079 |
| Heavy Atoms | 63 |
| Complexity | 1740.0 |
Chemical Identifiers
| CAS Number | 65195-51-9 |
|---|---|
| SMILES | CCC(C)[C@@H]1[C@H](C=C[C@@]2(O1)C[C@@H]3C[C@H](O2)CC=C([C@H]([C@H](C=CC=C4CO[C@H]5[C@@]4([C@@H](C=C([C@H]5OC)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 |
| InChIKey | AFSHKCWTGFDXJR-XRAZFEMNSA-N |
Product Overview
Avermectin A1a (CAS 65195-51-9), with molecular formula C49H74O14 and molecular weight 886.51 g/mol. IUPAC: (1'R,2R,3S,4'S,6S,8'R,12'S,13'S,20'R,21'R,24'S)-2-butan-2-yl-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'-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 A1a
Property Insights of Avermectin A1a
The XLogP value of 4.4 indicates that Avermectin A1a is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 159.0 Ų indicates high polarity, suggesting Avermectin A1a may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Avermectin A1a 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 A1a?
The CAS number of Avermectin A1a is 65195-51-9.
What is the molecular formula of Avermectin A1a?
The molecular formula of Avermectin A1a is C49H74O14.
What is the molecular weight of Avermectin A1a?
The molecular weight of Avermectin A1a is 886.51 g/mol.
Where can I buy Avermectin A1a?
You can request a quote for Avermectin A1a directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Avermectin A1a?
Yes, KEHONG BIO provides custom synthesis services for Avermectin A1a and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.