27-Hydroxyavermectin
TL;DR: 27-Hydroxyavermectin (CAS 109084-58-4) is a chemical compound with molecular formula C48H72O15 and molecular weight 888.49 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(10'E,14'E,16'E)-21',24'-dihydroxy-2-(3-hydroxybutan-2-yl)-12'-[5-(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: 27-Hydroxyavermectin, 27-OH-Avermectin, (10'E,14'E,16'E)-21',24'-dihydroxy-2-(3-hydroxybutan-2-yl)-12'-[5-(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
| Molecular Formula | C48H72O15 |
|---|---|
| Molecular Weight | 888.49 g/mol |
| LogP | 4.3482 |
| Topological Polar Surface Area | 190.29 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 8 |
| Exact Mass | 888.4871 |
| Heavy Atoms | 63 |
| Complexity | 1759.3331 |
Chemical Identifiers
| CAS Number | 109084-58-4 |
|---|---|
| SMILES | CC1/C=C/C=C/2\COC3C2(C(C=C(C3O)C)C(=O)OC4CC(C/C=C(/C1OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)O)OC)OC)\C)OC7(C4)C=CC(C(O7)C(C)C(C)O)C)O |
Product Overview
27-Hydroxyavermectin (CAS 109084-58-4), with molecular formula C48H72O15 and molecular weight 888.49 g/mol. IUPAC: (10'E,14'E,16'E)-21',24'-dihydroxy-2-(3-hydroxybutan-2-yl)-12'-[5-(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 27-Hydroxyavermectin
Property Insights of 27-Hydroxyavermectin
The XLogP value of 4.3482 indicates that 27-Hydroxyavermectin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 190.29 Ų indicates high polarity, suggesting 27-Hydroxyavermectin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 27-Hydroxyavermectin 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 27-Hydroxyavermectin?
The CAS number of 27-Hydroxyavermectin is 109084-58-4.
What is the molecular formula of 27-Hydroxyavermectin?
The molecular formula of 27-Hydroxyavermectin is C48H72O15.
What is the molecular weight of 27-Hydroxyavermectin?
The molecular weight of 27-Hydroxyavermectin is 888.49 g/mol.
Where can I buy 27-Hydroxyavermectin?
You can request a quote for 27-Hydroxyavermectin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 27-Hydroxyavermectin?
Yes, KEHONG BIO provides custom synthesis services for 27-Hydroxyavermectin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.