13-epi-Avm B1 hydrate
TL;DR: 13-epi-Avm B1 hydrate (CAS 135681-09-3) is a chemical compound with molecular formula C48H72O14 and molecular weight 872.4922 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1'R,2R,4'S,6R,8'R,10'E,12'R,13'S,14'E,16'E,20'R,21'R,24'S)-2-[(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-3,11',13',22'-tetramethylspiro[2,5-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one
Also Known As: 13-epi-Avm B1 hydrate, 13-epi-Avm B(sub 1) hydrate, 2,19-Bis-epi-avermectin B1, (13R)-5-O-Demethylavermectin A(sub 1a) hydrate, Avermectin a1a,5-O-demethyl-,(13R)-(9ci)
Technical Specifications
| Molecular Formula | C48H72O14 |
| Molecular Weight | 872.4922 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 170.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 872.4922 Da |
| Heavy Atoms | 62 |
| Complexity | 1740.0 |
| SMILES | CC[C@H](C)[C@@H]1C(=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 |
| InChIKey | JYKKIIBDKWKXOX-VQNPJSKLSA-N |
Chemical Property Profile of 13-epi-Avm B1 hydrate
Property Insights of 13-epi-Avm B1 hydrate
The XLogP value of 3.4 indicates that 13-epi-Avm B1 hydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 170.0 Ų indicates high polarity, suggesting 13-epi-Avm B1 hydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 13-epi-Avm B1 hydrate has 3 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 13-epi-Avm B1 hydrate?
The CAS number of 13-epi-Avm B1 hydrate is 135681-09-3.
What is the molecular formula of 13-epi-Avm B1 hydrate?
The molecular formula of 13-epi-Avm B1 hydrate is C48H72O14.
What is the molecular weight of 13-epi-Avm B1 hydrate?
The molecular weight of 13-epi-Avm B1 hydrate is 872.4922 g/mol.
Where can I buy 13-epi-Avm B1 hydrate?
You can request a quote for 13-epi-Avm B1 hydrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 13-epi-Avm B1 hydrate?
Yes, CoreyChem provides custom synthesis services for 13-epi-Avm B1 hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.