TL;DR: UPCMLD0ENAT5747462:001 (CAS 122062-43-5) is a chemical compound with molecular formula C15H10ClN3 and molecular weight 267.05634 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
16-chloro-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile
Also Known As: UPCMLD0ENAT5747462:001, BAS 00312783, 11-chloro-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a]benzimidazole-4-carbonitrile, 4-Chloro-2,3-dihydro-1H-4a,9-diaza-cyclopenta[b]fluorene-10-carbonitrile, AF-399/36011055
| Molecular Formula | C15H10ClN3 |
| Molecular Weight | 267.05634 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 267.05634 Da |
| Heavy Atoms | 19 |
| Complexity | 417.0 |
| SMILES | C1CC2=C(C3=NC4=CC=CC=C4N3C(=C2C1)Cl)C#N |
| InChIKey | MXSGGQALLHBBSQ-UHFFFAOYSA-N |
The XLogP value of 4.7 indicates that UPCMLD0ENAT5747462:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, UPCMLD0ENAT5747462:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT5747462:001 has 0 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 UPCMLD0ENAT5747462:001 is 122062-43-5.
The molecular formula of UPCMLD0ENAT5747462:001 is C15H10ClN3.
The molecular weight of UPCMLD0ENAT5747462:001 is 267.05634 g/mol.
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