TL;DR: N,N-dibenzyl-3-(2,5,5-trimethyl-3,4,4a,10b-tetrahydropyrano[3,2-c]chromen-2-yl)prop-2-yn-1-amine (CAS 1005100-44-6) is a chemical compound with molecular formula C32H35NO2 and molecular weight 465.26678 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N-dibenzyl-3-(2,5,5-trimethyl-3,4,4a,10b-tetrahydropyrano[3,2-c]chromen-2-yl)prop-2-yn-1-amine
Also Known As: N,N-dibenzyl-3-(2,5,5-trimethyl-3,4,4a,10b-tetrahydropyrano[3,2-c]chromen-2-yl)prop-2-yn-1-amine, N,N-dibenzyl-3-(2,5,5-trimethyl-2,3,4,4a,5,10b-hexahydropyrano[3,2-c]chromen-2-yl)prop-2-yn-1-amine, N,N-dibenzyl-3-(2,5,5-trimethyl-3,4,4a,10b-tetrahydro-2H,5H-pyrano[3,2-c]chromen-2-yl)prop-2-yn-1-amine
| Molecular Formula | C32H35NO2 |
| Molecular Weight | 465.26678 g/mol |
| XLogP | 6.0 |
| Topological Polar Surface Area (TPSA) | 21.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 465.26678 Da |
| Heavy Atoms | 35 |
| Complexity | 732.0 |
| SMILES | CC1(C2CCC(OC2C3=CC=CC=C3O1)(C)C#CCN(CC4=CC=CC=C4)CC5=CC=CC=C5)C |
| InChIKey | FICLHMZQURYKDA-UHFFFAOYSA-N |
The XLogP value of 6.0 indicates that N,N-dibenzyl-3-(2,5,5-trimethyl-3,4,4a,10b-tetrahydropyrano[3,2-c]chromen-2-yl)prop-2-yn-1-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.7 Ų, N,N-dibenzyl-3-(2,5,5-trimethyl-3,4,4a,10b-tetrahydropyrano[3,2-c]chromen-2-yl)prop-2-yn-1-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-dibenzyl-3-(2,5,5-trimethyl-3,4,4a,10b-tetrahydropyrano[3,2-c]chromen-2-yl)prop-2-yn-1-amine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N,N-dibenzyl-3-(2,5,5-trimethyl-3,4,4a,10b-tetrahydropyrano[3,2-c]chromen-2-yl)prop-2-yn-1-amine is 1005100-44-6.
The molecular formula of N,N-dibenzyl-3-(2,5,5-trimethyl-3,4,4a,10b-tetrahydropyrano[3,2-c]chromen-2-yl)prop-2-yn-1-amine is C32H35NO2.
The molecular weight of N,N-dibenzyl-3-(2,5,5-trimethyl-3,4,4a,10b-tetrahydropyrano[3,2-c]chromen-2-yl)prop-2-yn-1-amine is 465.26678 g/mol.
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