TL;DR: Bam 1110 (CAS 155210-57-4) is a chemical compound with molecular formula C22H25N5O4 and molecular weight 423.19064 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6aR,9R,10aR)-7-methyl-9-(1,2,4-triazol-1-ylmethyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline;(Z)-but-2-enedioic acid
Also Known As: BAM 1110, (5R,8R,10R)-6-Methyl-8-(1,2,4-triazol-l-ylmethyl)ergoline maleate, Ergoline, 6-methyl-8-(1H-1,2,4-triazol-1-ylmethyl)-, (8beta)-, (Z)-2-butenedioate
| Molecular Formula | C22H25N5O4 |
| Molecular Weight | 423.19064 g/mol |
| XLogP | 2.1314 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 423.19064 Da |
| Heavy Atoms | 31 |
| Complexity | 562.0 |
| SMILES | CN1C[C@@H](C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)CN5C=NC=N5.C(=C\C(=O)O)\C(=O)O |
| InChIKey | MNIXOHSBCFNRSH-UQGUCNKVSA-N |
The XLogP value of 2.1314 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bam 1110. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bam 1110. Following Lipinski's Rule of Five, Bam 1110 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Bam 1110 is 155210-57-4.
The molecular formula of Bam 1110 is C22H25N5O4.
The molecular weight of Bam 1110 is 423.19064 g/mol.
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