Ivermectin B1a
TL;DR: Ivermectin B1a (CAS 70161-11-4) 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,10E,12S,13S,14E,16E,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: Ivermectin B1a, Dihydroavermectin B1a, Stromectol, Ivermectine, Oramec
| 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 | 70161-11-4 |
|---|---|
| SMILES | CC[C@H](C)[C@@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[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
Ivermectin B1a (CAS 70161-11-4), with molecular formula C48H74O14 and molecular weight 874.51 g/mol. IUPAC: (1R,4S,5'S,6R,6'R,8R,10E,12S,13S,14E,16E,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 Ivermectin B1a
Property Insights of Ivermectin B1a
The XLogP value of 5.6014 indicates that Ivermectin B1a is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 170.06 Ų indicates high polarity, suggesting Ivermectin B1a may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ivermectin B1a 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 Ivermectin B1a?
The CAS number of Ivermectin B1a is 70161-11-4.
What is the molecular formula of Ivermectin B1a?
The molecular formula of Ivermectin B1a is C48H74O14.
What is the molecular weight of Ivermectin B1a?
The molecular weight of Ivermectin B1a is 874.51 g/mol.
Where can I buy Ivermectin B1a?
You can request a quote for Ivermectin B1a directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ivermectin B1a?
Yes, KEHONG BIO provides custom synthesis services for Ivermectin B1a and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.