TL;DR: [6-methoxy-2-phenyl-7-[2-(phenylmethoxycarbonylamino)acetyl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] 2-(phenylmethoxycarbonylamino)acetate (CAS 1191082-16-2) is a chemical compound with molecular formula C34H36N2O12 and molecular weight 664.2268 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[6-methoxy-2-phenyl-7-[2-(phenylmethoxycarbonylamino)acetyl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] 2-(phenylmethoxycarbonylamino)acetate
Also Known As: [6-methoxy-2-phenyl-7-[2-(phenylmethoxycarbonylamino)acetyl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] 2-(phenylmethoxycarbonylamino)acetate|6-methoxy-2-phenylhexahydropyrano[3,2-d][1,3]dioxine-7,8-diyl bis({[(benzyloxy)carbonyl]amino}acetate) (non-preferred name)|6-methoxy-2-phenylhexahydropyrano[3,2-d][1,3]dioxine-7,8-diyl bis(2-(((benzyloxy)carbonyl)amino)acetate)|STL564640
| Molecular Formula | C34H36N2O12 |
| Molecular Weight | 664.2268 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 166.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 16 |
| Exact Mass | 664.2268 Da |
| Heavy Atoms | 48 |
| Complexity | 1040.0 |
| SMILES | COC1C(C(C2C(O1)COC(O2)C3=CC=CC=C3)OC(=O)CNC(=O)OCC4=CC=CC=C4)OC(=O)CNC(=O)OCC5=CC=CC=C5 |
| InChIKey | AVUMCTHORAUSFM-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that [6-methoxy-2-phenyl-7-[2-(phenylmethoxycarbonylamino)acetyl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] 2-(phenylmethoxycarbonylamino)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 166.0 Ų indicates high polarity, suggesting [6-methoxy-2-phenyl-7-[2-(phenylmethoxycarbonylamino)acetyl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] 2-(phenylmethoxycarbonylamino)acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [6-methoxy-2-phenyl-7-[2-(phenylmethoxycarbonylamino)acetyl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] 2-(phenylmethoxycarbonylamino)acetate has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of [6-methoxy-2-phenyl-7-[2-(phenylmethoxycarbonylamino)acetyl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] 2-(phenylmethoxycarbonylamino)acetate is 1191082-16-2.
The molecular formula of [6-methoxy-2-phenyl-7-[2-(phenylmethoxycarbonylamino)acetyl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] 2-(phenylmethoxycarbonylamino)acetate is C34H36N2O12.
The molecular weight of [6-methoxy-2-phenyl-7-[2-(phenylmethoxycarbonylamino)acetyl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] 2-(phenylmethoxycarbonylamino)acetate is 664.2268 g/mol.
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