阿维菌素B1
TL;DR: 阿维菌素B1 (CAS 71751-41-2) 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.
阿维菌素B1
(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-butan-2-yl-21',24'-dihydroxy-12'-[(4S,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'-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: Abamectin, avermectin B1, Avermectin B(1)a, Spectrum5_001007, SPECTRUM1502260
| Molecular Formula | C48H72O14 |
|---|---|
| Molecular Weight | 872.49 g/mol |
| LogP | 5.3774 |
| Topological Polar Surface Area | 170.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 872.4922 |
| Heavy Atoms | 62 |
| Complexity | 1725.6376 |
Chemical Identifiers
| CAS Number | 71751-41-2 |
|---|---|
| SMILES | CCC(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]5O)C)C(=O)O3)O)C)OC6C[C@@H](C([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)C |
Product Overview
阿维菌素B1 (CAS 71751-41-2), with molecular formula C48H72O14 and molecular weight 872.49 g/mol. IUPAC: (1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-butan-2-yl-21',24'-dihydroxy-12'-[(4S,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'-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 阿维菌素B1
Property Insights of 阿维菌素B1
The XLogP value of 5.3774 indicates that 阿维菌素B1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 170.06 Ų indicates high polarity, suggesting 阿维菌素B1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 阿维菌素B1 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 阿维菌素B1?
The CAS number of 阿维菌素B1 is 71751-41-2.
What is the molecular formula of 阿维菌素B1?
The molecular formula of 阿维菌素B1 is C48H72O14.
What is the molecular weight of 阿维菌素B1?
The molecular weight of 阿维菌素B1 is 872.49 g/mol.
Where can I buy 阿维菌素B1?
You can request a quote for 阿维菌素B1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 阿维菌素B1?
Yes, KEHONG BIO provides custom synthesis services for 阿维菌素B1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.