(8Z)-3'',5-di-O-demethylavermectin A1a
TL;DR: (8Z)-3'',5-di-O-demethylavermectin A1a (CAS 99965-56-7) 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.
(10'E,14'E,16'E)-2-butan-2-yl-12'-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-21',24'-dihydroxy-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: 3'-Desmethylavermectin-B1a, (8Z)-3'',5-di-O-demethylavermectin A1a, Avermectin A1a, 3'',5-di-O-demethyl-, (8Z)-
| Molecular Formula | C47H70O14 |
|---|---|
| Molecular Weight | 858.48 g/mol |
| LogP | 4.7233 |
| Topological Polar Surface Area | 181.06 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 858.47656 |
| Heavy Atoms | 61 |
| Complexity | 1696.5062 |
Chemical Identifiers
| CAS Number | 99965-56-7 |
|---|---|
| SMILES | CCC(C)C1C(C=CC2(O1)CC3CC(O2)C/C=C(/C(C(/C=C/C=C/4\COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)O)OC)\C)C |
Product Overview
(8Z)-3'',5-di-O-demethylavermectin A1a (CAS 99965-56-7), with molecular formula C47H70O14 and molecular weight 858.48 g/mol. IUPAC: (10'E,14'E,16'E)-2-butan-2-yl-12'-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-21',24'-dihydroxy-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 (8Z)-3'',5-di-O-demethylavermectin A1a
Property Insights of (8Z)-3'',5-di-O-demethylavermectin A1a
The XLogP value of 4.7233 indicates that (8Z)-3'',5-di-O-demethylavermectin A1a is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 181.06 Ų indicates high polarity, suggesting (8Z)-3'',5-di-O-demethylavermectin A1a may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (8Z)-3'',5-di-O-demethylavermectin A1a has 4 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 (8Z)-3'',5-di-O-demethylavermectin A1a?
The CAS number of (8Z)-3'',5-di-O-demethylavermectin A1a is 99965-56-7.
What is the molecular formula of (8Z)-3'',5-di-O-demethylavermectin A1a?
The molecular formula of (8Z)-3'',5-di-O-demethylavermectin A1a is C47H70O14.
What is the molecular weight of (8Z)-3'',5-di-O-demethylavermectin A1a?
The molecular weight of (8Z)-3'',5-di-O-demethylavermectin A1a is 858.48 g/mol.
Where can I buy (8Z)-3'',5-di-O-demethylavermectin A1a?
You can request a quote for (8Z)-3'',5-di-O-demethylavermectin A1a directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (8Z)-3'',5-di-O-demethylavermectin A1a?
Yes, KEHONG BIO provides custom synthesis services for (8Z)-3'',5-di-O-demethylavermectin A1a and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.