Nemadectin
TL;DR: Nemadectin (CAS 102130-84-7) is a chemical compound with molecular formula C36H52O8 and molecular weight 612.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(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
| Molecular Formula | C36H52O8 |
|---|---|
| Molecular Weight | 612.37 g/mol |
| LogP | 5.0874 |
| Topological Polar Surface Area | 114.68 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 612.3662 |
| Heavy Atoms | 44 |
| Complexity | 1244.3702 |
Chemical Identifiers
| CAS Number | 102130-84-7 |
|---|---|
| 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 |
Product Overview
Nemadectin (CAS 102130-84-7), with molecular formula C36H52O8 and molecular weight 612.37 g/mol. IUPAC: (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.
Chemical Property Profile of Nemadectin
Property Insights of Nemadectin
The XLogP value of 5.0874 indicates that Nemadectin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.68 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
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 612.37 g/mol.
Where can I buy Nemadectin?
You can request a quote for Nemadectin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nemadectin?
Yes, KEHONG BIO provides custom synthesis services for Nemadectin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.