Ivermectine
TL;DR: Ivermectine (CAS 71827-03-7) is a chemical compound with molecular formula C48H74O14 and molecular weight 874.51 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,4S,5'S,6R,6'R,8R,12S,13S,20R,21R,24S)-6'-[(2S)-butan-2-yl]-21,24-dihydroxy-12-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5',11,13,22-tetramethylspiro[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: Ivermectine, Mectizan, Ivermectin B1a
| Molecular Formula | C48H74O14 |
|---|---|
| Molecular Weight | 874.51 g/mol |
| LogP | 5.6014 |
| Topological Polar Surface Area | 170.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 874.5079 |
| Heavy Atoms | 62 |
| Complexity | 1675.4327 |
Chemical Identifiers
| CAS Number | 71827-03-7 |
|---|---|
| SMILES | CC[C@H](C)[C@@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2)CC=C([C@H]([C@H](C=CC=C4CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)C)C |
Product Overview
Ivermectine (CAS 71827-03-7), with molecular formula C48H74O14 and molecular weight 874.51 g/mol. IUPAC: (1R,4S,5'S,6R,6'R,8R,12S,13S,20R,21R,24S)-6'-[(2S)-butan-2-yl]-21,24-dihydroxy-12-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5',11,13,22-tetramethylspiro[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 Ivermectine
Property Insights of Ivermectine
The XLogP value of 5.6014 indicates that Ivermectine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 170.06 Ų indicates high polarity, suggesting Ivermectine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ivermectine has 3 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 Ivermectine?
The CAS number of Ivermectine is 71827-03-7.
What is the molecular formula of Ivermectine?
The molecular formula of Ivermectine is C48H74O14.
What is the molecular weight of Ivermectine?
The molecular weight of Ivermectine is 874.51 g/mol.
Where can I buy Ivermectine?
You can request a quote for Ivermectine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ivermectine?
Yes, KEHONG BIO provides custom synthesis services for Ivermectine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.