TL;DR: 1-iodo-MK 801 (CAS 119493-70-8) is a chemical compound with molecular formula C16H14IN and molecular weight 347.0171 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-iodo-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaene
Also Known As: 1-Iodo-MK 801, 1-Iodo-MK-801, 1-Iodo-5-methyl-10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5,10-imine, 5H-Dibenzo(a,d)cyclohepten-5,10-imine, 10,11-dihydro-1-iodo-5-methyl-, (+-)-, 1-Iodo-5-methyl-10,11-dihydro-5H-5,10-epiminodibenzo[a,d][7]annulene
| Molecular Formula | C16H14IN |
| Molecular Weight | 347.0171 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 347.0171 Da |
| Heavy Atoms | 18 |
| Complexity | 344.0 |
| SMILES | CC12C3=C(CC(N1)C4=CC=CC=C24)C(=CC=C3)I |
| InChIKey | UAPZBXZJINUXOP-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that 1-iodo-MK 801 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.0 Ų, 1-iodo-MK 801 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-iodo-MK 801 has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-iodo-MK 801 is 119493-70-8.
The molecular formula of 1-iodo-MK 801 is C16H14IN.
The molecular weight of 1-iodo-MK 801 is 347.0171 g/mol.
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