TL;DR: Rumbrin (CAS 150206-14-7) is a chemical compound with molecular formula C20H20ClNO3 and molecular weight 357.11316 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-[(2Z,4E,6E,8E)-9-(3-chloro-1H-pyrrol-2-yl)nona-2,4,6,8-tetraen-2-yl]-4-methoxy-3-methylpyran-2-one
Also Known As: Rumbrin, 6-(8-(3-Chloro-1H-pyrrol-2-yl)-1-methyl-1,3,5,7-octatetraenyl)-4-methoxy-3-methyl-2H-pyran-2-one, 6-[(2Z,4E,6E,8E)-9-(3-chloro-1H-pyrrol-2-yl)nona-2,4,6,8-tetraen-2-yl]-4-methoxy-3-methylpyran-2-one, 2H-pyran-2-one, 6-(8-(3-chloro-1H-pyrrol-2-yl)-1-methyl-1,3,5,7-octatetraenyl)-4-methoxy-3-methyl-, (Z,E,E,E)-, 6-[(2Z,4E,6E,8E)-9-(3-chloro-1H-pyrrol-2-yl)nona-2,4,6,8-tet
| Molecular Formula | C20H20ClNO3 |
| Molecular Weight | 357.11316 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 51.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 357.11316 Da |
| Heavy Atoms | 25 |
| Complexity | 683.0 |
| SMILES | CC1=C(C=C(OC1=O)/C(=C\C=C\C=C\C=C\C2=C(C=CN2)Cl)/C)OC |
| InChIKey | TUFFAFAPFQNIRB-KDZWSXRISA-N |
The XLogP value of 5.1 indicates that Rumbrin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.3 Ų, Rumbrin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Rumbrin has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Rumbrin is 150206-14-7.
The molecular formula of Rumbrin is C20H20ClNO3.
The molecular weight of Rumbrin is 357.11316 g/mol.
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