Avermectin B2A
TL;DR: Avermectin B2A (CAS 135680-93-2) is a chemical compound with molecular formula C48H74O15 and molecular weight 890.50 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,4S,4'S,5'S,6R,6'R,8R,10E,12S,13S,14E,16E,20R,21R,24S)-6'-[(2S)-butan-2-yl]-4',21,24-trihydroxy-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-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 B2a, Ivermectin EP Impurity C, 13-epi-Avm B2, Antibiotic C-076B2a, 13-epi-Avm B(sub 2)
| Molecular Formula | C48H74O15 |
|---|---|
| Molecular Weight | 890.50 g/mol |
| LogP | 4.5722 |
| Topological Polar Surface Area | 190.29 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 8 |
| Exact Mass | 890.50275 |
| Heavy Atoms | 63 |
| Complexity | 1714.9869 |
Chemical Identifiers
| CAS Number | 135680-93-2 |
|---|---|
| SMILES | CC[C@H](C)[C@@H]1[C@H]([C@H](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)O)C |
Product Overview
Avermectin B2A (CAS 135680-93-2), with molecular formula C48H74O15 and molecular weight 890.50 g/mol. IUPAC: (1R,4S,4'S,5'S,6R,6'R,8R,10E,12S,13S,14E,16E,20R,21R,24S)-6'-[(2S)-butan-2-yl]-4',21,24-trihydroxy-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-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 B2A
Property Insights of Avermectin B2A
The XLogP value of 4.5722 indicates that Avermectin B2A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 190.29 Ų indicates high polarity, suggesting Avermectin B2A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Avermectin B2A has 4 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 B2A?
The CAS number of Avermectin B2A is 135680-93-2.
What is the molecular formula of Avermectin B2A?
The molecular formula of Avermectin B2A is C48H74O15.
What is the molecular weight of Avermectin B2A?
The molecular weight of Avermectin B2A is 890.50 g/mol.
Where can I buy Avermectin B2A?
You can request a quote for Avermectin B2A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Avermectin B2A?
Yes, KEHONG BIO provides custom synthesis services for Avermectin B2A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.