TL;DR: VM 55599 (CAS 148717-88-8) is a chemical compound with molecular formula C22H27N3O and molecular weight 349.21542 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(13R,16S)-12,12,16-trimethyl-10,19,22-triazahexacyclo[13.5.2.01,13.03,11.04,9.015,19]docosa-3(11),4,6,8-tetraen-21-one
Also Known As: VM 55599, (13R,16S)-12,12,16-Trimethyl-10,19,22-triazahexacyclo[13.5.2.01,13.03,11.04,9.015,19]docosa-3(11),4,6,8-tetraen-21-one, (1S,12aR)-1,12,12-Trimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-13a,5a-(azenometheno)indolizino[7,6-b]carbazol-15-ol, 1,12,12-Trimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-13a,5a-(azenometheno)indolizino[7,6-b]carbazol-15-ol, 1H,5H-5a,12b-(Iminoethano)pyrrolizino(1,2-b)carbazol-14-one, 2,3,6,11,12,12a-hexahydro-1,12,12-trimethyl-, (1R-(1alpha,5abeta,12abeta,12bbeta))-
| Molecular Formula | C22H27N3O |
| Molecular Weight | 349.21542 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 48.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 349.21542 Da |
| Heavy Atoms | 26 |
| Complexity | 662.0 |
| SMILES | C[C@H]1CCN2C13C[C@@H]4C(C5=C(CC4(C2)C(=O)N3)C6=CC=CC=C6N5)(C)C |
| InChIKey | IEJLMMJWGODTGM-OHPWTWNFSA-N |
The XLogP value of 3.5 indicates that VM 55599 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.1 Ų, VM 55599 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, VM 55599 has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of VM 55599 is 148717-88-8.
The molecular formula of VM 55599 is C22H27N3O.
The molecular weight of VM 55599 is 349.21542 g/mol.
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