Ivermectine
TL;DR: Ivermectine (CAS 70288-86-7) is a chemical compound with molecular formula C95H146O28 and molecular weight 1735.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,5'S,6R,6'R,8R,12S,13S,20R,21R,24S)-6'-butan-2-yl-21,24-dihydroxy-12-[(2R,4S,5S,6S)-5-[(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;(1R,5'S,6R,6'R,8R,12S,13S,20R,21R,24S)-21,24-dihydroxy-12-[(2R,4S,5S,6S)-5-[(4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5',11,13,22-tetramethyl-6'-propan-2-ylspiro[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
| Molecular Formula | C95H146O28 |
|---|---|
| Molecular Weight | 1735.00 g/mol |
| LogP | 10.81 |
| Topological Polar Surface Area | 340.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 28 |
| Rotatable Bonds | 15 |
| Exact Mass | 1736.0034 |
| Heavy Atoms | 123 |
| Complexity | 3340.0 |
Chemical Identifiers
| CAS Number | 70288-86-7 |
|---|---|
| SMILES | CCC(C)[C@@H]1[C@H](CC[C@@]2(O1)CC3C[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)OC7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)C)C.C[C@H]1CC[C@]2(CC3C[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)OC7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)C)O[C@@H]1C(C)C |
| InChIKey | SPBDXSGPUHCETR-CXUXHRSTSA-N |
Product Overview
Ivermectine (CAS 70288-86-7), with molecular formula C95H146O28 and molecular weight 1735.00 g/mol. IUPAC: (1R,5'S,6R,6'R,8R,12S,13S,20R,21R,24S)-6'-butan-2-yl-21,24-dihydroxy-12-[(2R,4S,5S,6S)-5-[(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;(1R,5'S,6R,6'R,8R,12S,13S,20R,21R,24S)-21,24-dihydroxy-12-[(2R,4S,5S,6S)-5-[(4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5',11,13,22-tetramethyl-6'-propan-2-ylspiro[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 10.81 indicates that Ivermectine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 340.0 Ų indicates high polarity, suggesting Ivermectine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ivermectine has 6 hydrogen bond donor(s) and 28 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 70288-86-7.
What is the molecular formula of Ivermectine?
The molecular formula of Ivermectine is C95H146O28.
What is the molecular weight of Ivermectine?
The molecular weight of Ivermectine is 1735.00 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.