TL;DR: 3,4-Methylenedioxymethamphetamine-heptafluoroacyl (CAS 156572-21-3) is a chemical compound with molecular formula C15H14F7NO3 and molecular weight 389.08618 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide
Also Known As: 3,4-Methylenedioxymethamphetamine-heptafluoroacyl, Methylenedioxymethamphetamine, n-heptafluorobutyryl deriv., N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide, N-[2-(1,3-Benzodioxol-5-yl)-1-methylethyl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide
| Molecular Formula | C15H14F7NO3 |
| Molecular Weight | 389.08618 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 389.08618 Da |
| Heavy Atoms | 26 |
| Complexity | 526.0 |
| SMILES | CC(CC1=CC2=C(C=C1)OCO2)N(C)C(=O)C(C(C(F)(F)F)(F)F)(F)F |
| InChIKey | ZGHICVNRTPSTFX-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that 3,4-Methylenedioxymethamphetamine-heptafluoroacyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, 3,4-Methylenedioxymethamphetamine-heptafluoroacyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Methylenedioxymethamphetamine-heptafluoroacyl has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3,4-Methylenedioxymethamphetamine-heptafluoroacyl is 156572-21-3.
The molecular formula of 3,4-Methylenedioxymethamphetamine-heptafluoroacyl is C15H14F7NO3.
The molecular weight of 3,4-Methylenedioxymethamphetamine-heptafluoroacyl is 389.08618 g/mol.
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