TL;DR: m-Anisidine, 4-((5-(phenylthio)pentyl)oxy)- (CAS 107779-28-2) is a chemical compound with molecular formula C18H23NO2S and molecular weight 317.14496 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methoxy-4-(5-phenylsulfanylpentoxy)aniline
Also Known As: starbld0012859, m-ANISIDINE, 4-((5-(PHENYLTHIO)PENTYL)OXY)-, M & B 4996, 4-((5-(Phenylthio)pentyl)oxy)-m-anisidine, 3-methoxy-4-(5-phenylsulfanylpentoxy)aniline
| Molecular Formula | C18H23NO2S |
| Molecular Weight | 317.14496 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 69.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 317.14496 Da |
| Heavy Atoms | 22 |
| Complexity | 284.0 |
| SMILES | COC1=C(C=CC(=C1)N)OCCCCCSC2=CC=CC=C2 |
| InChIKey | VUQTUYGZKQZJJK-UHFFFAOYSA-N |
The XLogP value of 4.5 indicates that m-Anisidine, 4-((5-(phenylthio)pentyl)oxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.8 Ų falls within the moderate polarity range, balancing permeability and solubility for m-Anisidine, 4-((5-(phenylthio)pentyl)oxy)-. Following Lipinski's Rule of Five, m-Anisidine, 4-((5-(phenylthio)pentyl)oxy)- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of m-Anisidine, 4-((5-(phenylthio)pentyl)oxy)- is 107779-28-2.
The molecular formula of m-Anisidine, 4-((5-(phenylthio)pentyl)oxy)- is C18H23NO2S.
The molecular weight of m-Anisidine, 4-((5-(phenylthio)pentyl)oxy)- is 317.14496 g/mol.
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