TL;DR: m-Anisidine, 4-(4-pentenyloxy)-, hydrobromide (CAS 105788-17-8) is a chemical compound with molecular formula C12H18BrNO2 and molecular weight 287.0521 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-methoxy-4-pent-4-enoxyphenyl)azanium bromide
Also Known As: M & B 5430, 4-(4-Pentenyloxy)-m-anisidine hydrobromide, m-ANISIDINE, 4-(4-PENTENYLOXY)-, HYDROBROMIDE, (3-methoxy-4-pent-4-enoxyphenyl)azanium;bromide, (3-methoxy-4-pent-4-enoxyphenyl)azanium bromide
| Molecular Formula | C12H18BrNO2 |
| Molecular Weight | 287.0521 g/mol |
| XLogP | -1.08 |
| Topological Polar Surface Area (TPSA) | 46.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 287.0521 Da |
| Heavy Atoms | 16 |
| Complexity | 184.0 |
| SMILES | COC1=C(C=CC(=C1)[NH3+])OCCCC=C.[Br-] |
| InChIKey | DOXSIYRANRUWMX-UHFFFAOYSA-N |
The XLogP value of -1.08 indicates that m-Anisidine, 4-(4-pentenyloxy)-, hydrobromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.1 Ų, m-Anisidine, 4-(4-pentenyloxy)-, hydrobromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, m-Anisidine, 4-(4-pentenyloxy)-, hydrobromide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of m-Anisidine, 4-(4-pentenyloxy)-, hydrobromide is 105788-17-8.
The molecular formula of m-Anisidine, 4-(4-pentenyloxy)-, hydrobromide is C12H18BrNO2.
The molecular weight of m-Anisidine, 4-(4-pentenyloxy)-, hydrobromide is 287.0521 g/mol.
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