RefChem:1077362
TL;DR: RefChem:1077362 (CAS 148865-44-5) is a chemical compound with molecular formula C54H85NO17 and molecular weight 1019.5817 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[6-[6-[(10E,14E,16E)-6'-butan-2-yl-21,24-dihydroxy-22-(2-methoxyethoxymethoxymethyl)-5',11,13-trimethyl-2-oxospiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-12-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]acetamide
Also Known As: Avermectin A1a, 22,23-dihydro-4''-(acetylamino)-5-O-demethyl-4''-deoxy-26-((2-methoxyethoxy)methoxy)-, (4''R)-
Technical Specifications
| Molecular Formula | C54H85NO17 |
| Molecular Weight | 1019.5817 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 207.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 16 |
| Exact Mass | 1019.5817 Da |
| Heavy Atoms | 72 |
| Complexity | 1930.0 |
| SMILES | CCC(C)C1C(CCC2(O1)CC3CC(O2)C/C=C(/C(C(/C=C/C=C/4\COC5C4(C(C=C(C5O)COCOCCOC)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)NC(=O)C)OC)OC)\C)C |
| InChIKey | PKWQNPKSKLYKFX-NLGMDJEFSA-N |
Chemical Property Profile of RefChem:1077362
Property Insights of RefChem:1077362
The XLogP value of 3.2 indicates that RefChem:1077362 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 207.0 Ų indicates high polarity, suggesting RefChem:1077362 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1077362 has 3 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1077362?
The CAS number of RefChem:1077362 is 148865-44-5.
What is the molecular formula of RefChem:1077362?
The molecular formula of RefChem:1077362 is C54H85NO17.
What is the molecular weight of RefChem:1077362?
The molecular weight of RefChem:1077362 is 1019.5817 g/mol.
Where can I buy RefChem:1077362?
You can request a quote for RefChem:1077362 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1077362?
Yes, CoreyChem provides custom synthesis services for RefChem:1077362 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.