Avermectin B1b
TL;DR: Avermectin B1b (CAS 65195-56-4) is a chemical compound with molecular formula C47H70O14 and molecular weight 858.48 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)-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: Avermectin B1b, Abamectin B1b, abamectin component B1b
| Molecular Formula | C47H70O14 |
|---|---|
| Molecular Weight | 858.48 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 170.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 858.47656 |
| Heavy Atoms | 61 |
| Complexity | 1710.0 |
Chemical Identifiers
| CAS Number | 65195-56-4 |
|---|---|
| SMILES | C[C@H]1C=CC=C2CO[C@H]3[C@@]2([C@@H](C=C([C@H]3O)C)C(=O)O[C@H]4C[C@@H](CC=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 |
| InChIKey | ZFUKERYTFURFGA-BEDOCLDBSA-N |
Product Overview
Avermectin B1b (CAS 65195-56-4), with molecular formula C47H70O14 and molecular weight 858.48 g/mol. IUPAC: (1'R,2R,3S,4'S,6S,8'R,12'S,13'S,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 Avermectin B1b
Property Insights of Avermectin B1b
The XLogP value of 3.5 indicates that Avermectin B1b is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 170.0 Ų indicates high polarity, suggesting Avermectin B1b may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Avermectin B1b has 3 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 B1b?
The CAS number of Avermectin B1b is 65195-56-4.
What is the molecular formula of Avermectin B1b?
The molecular formula of Avermectin B1b is C47H70O14.
What is the molecular weight of Avermectin B1b?
The molecular weight of Avermectin B1b is 858.48 g/mol.
Where can I buy Avermectin B1b?
You can request a quote for Avermectin B1b directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Avermectin B1b?
Yes, KEHONG BIO provides custom synthesis services for Avermectin B1b and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.