TL;DR: RefChem:327894 (CAS 69782-57-6) is a chemical compound with molecular formula C20H35ClN2O2 and molecular weight 370.2387 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-aminobenzoyl)oxybutan-2-yl-(2,6-dimethylheptan-4-yl)azanium chloride
Also Known As: Benzoic acid, p-amino-, 2-(1-isobutyl-3-methylbutylamino)butyl ester, hydrochloride, p-Aminobenzoic acid 2-(1-isobutyl-3-methylbutylamino)butyl ester hydrochloride, 1-(4-aminobenzoyl)oxybutan-2-yl-(2,6-dimethylheptan-4-yl)azanium chloride, 1-(4-Aminobenzoyl)oxybutan-2-yl-(2,6-dimethylheptan-4-yl)azaniumchloride
| Molecular Formula | C20H35ClN2O2 |
| Molecular Weight | 370.2387 g/mol |
| XLogP | 0.23 |
| Topological Polar Surface Area (TPSA) | 68.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 370.2387 Da |
| Heavy Atoms | 25 |
| Complexity | 340.0 |
| SMILES | CCC(COC(=O)C1=CC=C(C=C1)N)[NH2+]C(CC(C)C)CC(C)C.[Cl-] |
| InChIKey | CURBRZWLDRIECZ-UHFFFAOYSA-N |
The XLogP value of 0.23 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:327894. The TPSA of 68.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:327894. Following Lipinski's Rule of Five, RefChem:327894 has 2 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 RefChem:327894 is 69782-57-6.
The molecular formula of RefChem:327894 is C20H35ClN2O2.
The molecular weight of RefChem:327894 is 370.2387 g/mol.
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