TL;DR: Benzoic acid, p-(5-(p-aminophenoxy)pentyloxy)-, hydrochloride (CAS 101719-22-6) is a chemical compound with molecular formula C18H22ClNO4 and molecular weight 351.12375 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-[5-(4-carboxyphenoxy)pentoxy]phenyl]azanium chloride
Also Known As: M & B 2877, BENZOIC ACID, p-(5-(p-AMINOPHENOXY)PENTYLOXY)-, HYDROCHLORIDE, [4-[5-(4-carboxyphenoxy)pentoxy]phenyl]azanium;chloride, p-(5-(p-Aminophenoxy)pentyloxy)benzoic acid hydrochloride, [4-[5-(4-carboxyphenoxy)pentoxy]phenyl]azanium chloride
| Molecular Formula | C18H22ClNO4 |
| Molecular Weight | 351.12375 g/mol |
| XLogP | -0.11 |
| Topological Polar Surface Area (TPSA) | 83.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 351.12375 Da |
| Heavy Atoms | 24 |
| Complexity | 334.0 |
| SMILES | C1=CC(=CC=C1C(=O)O)OCCCCCOC2=CC=C(C=C2)[NH3+].[Cl-] |
| InChIKey | FQHFXTIXEXOEDM-UHFFFAOYSA-N |
The XLogP value of -0.11 indicates that Benzoic acid, p-(5-(p-aminophenoxy)pentyloxy)-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, p-(5-(p-aminophenoxy)pentyloxy)-, hydrochloride. Following Lipinski's Rule of Five, Benzoic acid, p-(5-(p-aminophenoxy)pentyloxy)-, hydrochloride 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 Benzoic acid, p-(5-(p-aminophenoxy)pentyloxy)-, hydrochloride is 101719-22-6.
The molecular formula of Benzoic acid, p-(5-(p-aminophenoxy)pentyloxy)-, hydrochloride is C18H22ClNO4.
The molecular weight of Benzoic acid, p-(5-(p-aminophenoxy)pentyloxy)-, hydrochloride is 351.12375 g/mol.
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