22,23-dihydroavermectin B1(a)
TL;DR: 22,23-dihydroavermectin B1(a) (CAS 94837-49-7) is a chemical compound with molecular formula C48H75O17P and molecular weight 954.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3S,4S,6S)-6-[(2S,3S,4S,6R)-6-[(1R,4S,5'S,6R,6'R,8R,10E,12R,13S,14E,16E,20R,21R,24S)-6'-[(2S)-butan-2-yl]-21,24-dihydroxy-5',11,13,22-tetramethyl-2-oxospiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-12-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl] dihydrogen phosphate
Also Known As: IVMPO4, H2B1a avermectin, Dihydroivermectin B1a, 22,23-Dihydroavermectin B1(a), 22,23-Dihydroavermectin B(1)a
| Molecular Formula | C48H75O17P |
|---|---|
| Molecular Weight | 954.47 g/mol |
| LogP | 5.7184 |
| Topological Polar Surface Area | 216.59 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 10 |
| Exact Mass | 954.4742 |
| Heavy Atoms | 66 |
| Complexity | 1862.1218 |
Chemical Identifiers
| CAS Number | 94837-49-7 |
|---|---|
| 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)OP(=O)(O)O)OC)OC)\C)C |
Product Overview
22,23-dihydroavermectin B1(a) (CAS 94837-49-7), with molecular formula C48H75O17P and molecular weight 954.47 g/mol. IUPAC: [(2S,3S,4S,6S)-6-[(2S,3S,4S,6R)-6-[(1R,4S,5'S,6R,6'R,8R,10E,12R,13S,14E,16E,20R,21R,24S)-6'-[(2S)-butan-2-yl]-21,24-dihydroxy-5',11,13,22-tetramethyl-2-oxospiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-12-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl] dihydrogen phosphate.
Chemical Property Profile of 22,23-dihydroavermectin B1(a)
Property Insights of 22,23-dihydroavermectin B1(a)
The XLogP value of 5.7184 indicates that 22,23-dihydroavermectin B1(a) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 216.59 Ų indicates high polarity, suggesting 22,23-dihydroavermectin B1(a) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 22,23-dihydroavermectin B1(a) has 4 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 22,23-dihydroavermectin B1(a)?
The CAS number of 22,23-dihydroavermectin B1(a) is 94837-49-7.
What is the molecular formula of 22,23-dihydroavermectin B1(a)?
The molecular formula of 22,23-dihydroavermectin B1(a) is C48H75O17P.
What is the molecular weight of 22,23-dihydroavermectin B1(a)?
The molecular weight of 22,23-dihydroavermectin B1(a) is 954.47 g/mol.
Where can I buy 22,23-dihydroavermectin B1(a)?
You can request a quote for 22,23-dihydroavermectin B1(a) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 22,23-dihydroavermectin B1(a)?
Yes, KEHONG BIO provides custom synthesis services for 22,23-dihydroavermectin B1(a) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.