Avermectin A2a
TL;DR: Avermectin A2a (CAS 65195-53-1) is a chemical compound with molecular formula C49H76O15 and molecular weight 904.52 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,4S,5'S,6R,6'R,8R,10Z,12S,13S,14Z,16Z,20R,21R,24S)-6'-[(2S)-butan-2-yl]-4',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-21-methoxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
Also Known As: Avermectin A2a, Antibiotic C 076A2a, L 676893, Avermectin A1a, 22,23-dihydro-23-hydroxy-, (23S)-, (1R,4S,5'S,6R,6'R,8R,10Z,12S,13S,14Z,16Z,20R,21R,24S)-6'-[(2S)-Butan-2-yl]-4',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-21-methoxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
| Molecular Formula | C49H76O15 |
|---|---|
| Molecular Weight | 904.52 g/mol |
| LogP | 5.2263 |
| Topological Polar Surface Area | 179.29 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 9 |
| Exact Mass | 904.51843 |
| Heavy Atoms | 64 |
| Complexity | 1732.1344 |
Chemical Identifiers
| CAS Number | 65195-53-1 |
|---|---|
| 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]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)O)C |
Product Overview
Avermectin A2a (CAS 65195-53-1), with molecular formula C49H76O15 and molecular weight 904.52 g/mol. IUPAC: (1R,4S,5'S,6R,6'R,8R,10Z,12S,13S,14Z,16Z,20R,21R,24S)-6'-[(2S)-butan-2-yl]-4',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-21-methoxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one.
Chemical Property Profile of Avermectin A2a
Property Insights of Avermectin A2a
The XLogP value of 5.2263 indicates that Avermectin A2a is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 179.29 Ų indicates high polarity, suggesting Avermectin A2a may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Avermectin A2a 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 Avermectin A2a?
The CAS number of Avermectin A2a is 65195-53-1.
What is the molecular formula of Avermectin A2a?
The molecular formula of Avermectin A2a is C49H76O15.
What is the molecular weight of Avermectin A2a?
The molecular weight of Avermectin A2a is 904.52 g/mol.
Where can I buy Avermectin A2a?
You can request a quote for Avermectin A2a directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Avermectin A2a?
Yes, KEHONG BIO provides custom synthesis services for Avermectin A2a and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.