TL;DR: enacyloxin IVa (CAS 142386-37-6) is a chemical compound with molecular formula C33H47Cl2NO11 and molecular weight 703.2526 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(2E,4E,6E,8E,10Z,20E)-19-carbamoyloxy-11,18-dichloro-13,14,15,17-tetrahydroxy-6,12-dimethyltricosa-2,4,6,8,10,20-hexaenoyl]oxy-4-hydroxycyclohexane-1-carboxylic acid
Also Known As: Enacyloxin iva, Enx iva, Enacyloxin IIa 15-alcohol, J2.461.138H, 3-[(2E,4E,6E,8E,10Z,20E)-19-carbamoyloxy-11,18-dichloro-13,14,15,17-tetrahydroxy-6,12-dimethyltricosa-2,4,6,8,10,20-hexaenoyl]oxy-4-hydroxycyclohexane-1-carboxylic acid
| Molecular Formula | C33H47Cl2NO11 |
| Molecular Weight | 703.2526 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 217.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 20 |
| Exact Mass | 703.2526 Da |
| Heavy Atoms | 47 |
| Complexity | 1200.0 |
| SMILES | CC/C=C/C(C(C(CC(C(C(C(C)/C(=C/C=C/C=C(\C)/C=C/C=C/C(=O)OC1CC(CCC1O)C(=O)O)/Cl)O)O)O)O)Cl)OC(=O)N |
| InChIKey | VSFNDCKKSCIXNV-PHMKDSOOSA-N |
The XLogP value of 3.8 indicates that enacyloxin IVa is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 217.0 Ų indicates high polarity, suggesting enacyloxin IVa may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, enacyloxin IVa has 7 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of enacyloxin IVa is 142386-37-6.
The molecular formula of enacyloxin IVa is C33H47Cl2NO11.
The molecular weight of enacyloxin IVa is 703.2526 g/mol.
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