TL;DR: Benzeneethanamine, beta,beta'-dithiobis(N,N,alpha-trimethyl-, (alpha-S-(alpha-R*,beta-R*(alpha'R*,beta'R*)))- (CAS 47497-54-1) is a chemical compound with molecular formula C22H32N2S2 and molecular weight 388.20068 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,2S)-1-[[(1S,2S)-2-(dimethylamino)-1-phenylpropyl]disulfanyl]-N,N-dimethyl-1-phenylpropan-2-amine
Also Known As: Benzeneethanamine, beta,beta'-dithiobis(N,N,alpha-trimethyl-, (alpha-S-(alpha-R*,beta-R*(alpha'R*,beta'R*)))-, (1S,1'S,2S,2'S)-1,1'-Disulfanediylbis(N,N-dimethyl-1-phenylpropan-2-amine), (1S,2S)-1-[[(1S,2S)-2-(dimethylamino)-1-phenylpropyl]disulfanyl]-N,N-dimethyl-1-phenylpropan-2-amine, BRN 2821598
| Molecular Formula | C22H32N2S2 |
| Molecular Weight | 388.20068 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 57.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 388.20068 Da |
| Heavy Atoms | 26 |
| Complexity | 340.0 |
| SMILES | C[C@@H]([C@H](C1=CC=CC=C1)SS[C@@H](C2=CC=CC=C2)[C@H](C)N(C)C)N(C)C |
| InChIKey | IGCRIAODLXTXFQ-MOXQZVSFSA-N |
The XLogP value of 4.9 indicates that Benzeneethanamine, beta,beta'-dithiobis(N,N,alpha-trimethyl-, (alpha-S-(alpha-R*,beta-R*(alpha'R*,beta'R*)))- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.1 Ų, Benzeneethanamine, beta,beta'-dithiobis(N,N,alpha-trimethyl-, (alpha-S-(alpha-R*,beta-R*(alpha'R*,beta'R*)))- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneethanamine, beta,beta'-dithiobis(N,N,alpha-trimethyl-, (alpha-S-(alpha-R*,beta-R*(alpha'R*,beta'R*)))- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Benzeneethanamine, beta,beta'-dithiobis(N,N,alpha-trimethyl-, (alpha-S-(alpha-R*,beta-R*(alpha'R*,beta'R*)))- is 47497-54-1.
The molecular formula of Benzeneethanamine, beta,beta'-dithiobis(N,N,alpha-trimethyl-, (alpha-S-(alpha-R*,beta-R*(alpha'R*,beta'R*)))- is C22H32N2S2.
The molecular weight of Benzeneethanamine, beta,beta'-dithiobis(N,N,alpha-trimethyl-, (alpha-S-(alpha-R*,beta-R*(alpha'R*,beta'R*)))- is 388.20068 g/mol.
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