TL;DR: Hydroxyacetic acid--2-(cyclohexylamino)propyl 4-aminobenzoate (1/1) (CAS 100811-83-4) is a chemical compound with molecular formula C18H28N2O5 and molecular weight 352.19983 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-aminobenzoyl)oxypropan-2-yl-cyclohexylazanium;2-hydroxyacetate
Also Known As: 1-Cyclohexylamino-2-propanol p-aminobenzoate glycolate, p-Aminobenzoic acid 2-(cyclohexylamino)propyl ester glycolate hydrate, BENZOIC ACID, p-AMINO-, 2-(CYCLOHEXYLAMINO)PROPYL ESTER, GLYCOLATE, HYDRATE, 1-(4-aminobenzoyl)oxypropan-2-yl-cyclohexylazanium; 2-hydroxyacetate, Hydroxyacetic acid--2-(cyclohexylamino)propyl 4-aminobenzoate (1/1)
| Molecular Formula | C18H28N2O5 |
| Molecular Weight | 352.19983 g/mol |
| XLogP | -0.56 |
| Topological Polar Surface Area (TPSA) | 129.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 352.19983 Da |
| Heavy Atoms | 25 |
| Complexity | 329.0 |
| SMILES | CC(COC(=O)C1=CC=C(C=C1)N)[NH2+]C2CCCCC2.C(C(=O)[O-])O |
| InChIKey | QOLJVWYPAGDCEB-UHFFFAOYSA-N |
The XLogP value of -0.56 indicates that Hydroxyacetic acid--2-(cyclohexylamino)propyl 4-aminobenzoate (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Hydroxyacetic acid--2-(cyclohexylamino)propyl 4-aminobenzoate (1/1). Following Lipinski's Rule of Five, Hydroxyacetic acid--2-(cyclohexylamino)propyl 4-aminobenzoate (1/1) has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Hydroxyacetic acid--2-(cyclohexylamino)propyl 4-aminobenzoate (1/1) is 100811-83-4.
The molecular formula of Hydroxyacetic acid--2-(cyclohexylamino)propyl 4-aminobenzoate (1/1) is C18H28N2O5.
The molecular weight of Hydroxyacetic acid--2-(cyclohexylamino)propyl 4-aminobenzoate (1/1) is 352.19983 g/mol.
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