TL;DR: Anorldianine (CAS 123690-71-1) is a chemical compound with molecular formula C27H40N4O4 and molecular weight 484.30496 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-(dimethylamino)-N-[(3S,4S,10S,13Z)-5,11-dioxo-3-propan-2-yl-2-oxa-6,12-diazatricyclo[13.2.2.06,10]nonadeca-1(18),13,15(19),16-tetraen-4-yl]-4-methylpentanamide
Also Known As: Anorldianine, (2S)-2-(dimethylamino)-N-((3S,4S,10S,13Z)-5,11-dioxo-3-propan-2-yl-2-oxa-6,12-diazatricyclo(13.2.2.06,10)nonadeca-1(18),13,15(19),16-tetraen-4-yl)-4-methylpentanamide
| Molecular Formula | C27H40N4O4 |
| Molecular Weight | 484.30496 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 91.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 484.30496 Da |
| Heavy Atoms | 35 |
| Complexity | 773.0 |
| SMILES | CC(C)C[C@@H](C(=O)N[C@H]1[C@@H](OC2=CC=C(C=C2)/C=C\NC(=O)[C@@H]3CCCN3C1=O)C(C)C)N(C)C |
| InChIKey | MITWCWLZKRSVCI-SBGIFIGLSA-N |
The XLogP value of 4.0 indicates that Anorldianine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Anorldianine. Following Lipinski's Rule of Five, Anorldianine has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Anorldianine is 123690-71-1.
The molecular formula of Anorldianine is C27H40N4O4.
The molecular weight of Anorldianine is 484.30496 g/mol.
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