TL;DR: BAS 00157120 (CAS 106880-17-5) is a chemical compound with molecular formula C24H28N2 and molecular weight 344.22525 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,4,4,21,21-pentamethyl-11,14-diazapentacyclo[12.7.0.03,11.05,10.015,20]henicosa-1,5,7,9,15,17,19-heptaene
Also Known As: BAS 00157120, 13,13,13a,15,15-pentamethyl-6,7,13a,15-tetrahydro-13H-indolo[1',2':4,5][1,4]diazepino[1,7-a]indole, AE-848/31998045, 13,13,13a,15,15-pentamethyl-6,7,13a,15-tetrahydro-13H-[1,4]diazepino[1,7-a:4,5-a']diindole, 3,4,4,21,21-pentamethyl-11,14-diazapentacyclo[12.7.0.03,11.05,10.015,20]henicosa-1,5,7,9,15,17,19-heptaene
| Molecular Formula | C24H28N2 |
| Molecular Weight | 344.22525 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 6.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 344.22525 Da |
| Heavy Atoms | 26 |
| Complexity | 618.0 |
| SMILES | CC1(C2=CC=CC=C2N3C1=CC4(C(C5=CC=CC=C5N4CC3)(C)C)C)C |
| InChIKey | KCBMVJWAMLGUDQ-UHFFFAOYSA-N |
The XLogP value of 5.9 indicates that BAS 00157120 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 6.5 Ų, BAS 00157120 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00157120 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of BAS 00157120 is 106880-17-5.
The molecular formula of BAS 00157120 is C24H28N2.
The molecular weight of BAS 00157120 is 344.22525 g/mol.
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