Nemadectin
TL;DR: Nemadectin (CAS 102130-84-7) is a chemical compound with molecular formula C36H52O8 and molecular weight 612.3662 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,4S,4'S,5'S,6R,6'S,8R,10E,13R,14E,16E,20R,21R,24S)-4',21,24-trihydroxy-5',11,13,22-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
Also Known As: Nemadectin, Nemadectina, Nemadectine, Nemadectinum, antibiotic S-541A
Technical Specifications
| Molecular Formula | C36H52O8 |
| Molecular Weight | 612.3662 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 612.3662 Da |
| Heavy Atoms | 44 |
| Complexity | 1240.0 |
| SMILES | C[C@@H]\1C/C(=C/C[C@@H]2C[C@@H](C[C@@]3(O2)C[C@@H]([C@@H]([C@H](O3)/C(=C/C(C)C)/C)C)O)OC(=O)[C@@H]4C=C([C@H]([C@@H]5[C@]4(/C(=C/C=C1)/CO5)O)O)C)/C |
| InChIKey | YNFMRVVYUVPIAN-AQUURSMBSA-N |
Chemical Property Profile of Nemadectin
Property Insights of Nemadectin
The XLogP value of 4.0 indicates that Nemadectin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Nemadectin. Following Lipinski's Rule of Five, Nemadectin has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Nemadectin?
The CAS number of Nemadectin is 102130-84-7.
What is the molecular formula of Nemadectin?
The molecular formula of Nemadectin is C36H52O8.
What is the molecular weight of Nemadectin?
The molecular weight of Nemadectin is 612.3662 g/mol.
Where can I buy Nemadectin?
You can request a quote for Nemadectin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Nemadectin?
Yes, CoreyChem provides custom synthesis services for Nemadectin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.