TL;DR: Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 2-(4-morpholinyl)ethyl ester, hydrochloride (CAS 134871-15-1) is a chemical compound with molecular formula C20H22Br2ClNO4 and molecular weight 532.9604 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-morpholin-4-ylethyl 2,2-bis(4-bromophenyl)-2-hydroxyacetate;hydrochloride
Also Known As: Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 2-(4-morpholinyl)ethyl ester, hydrochloride, 2-Morpholinoethyl 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxybenzeneacetate hydrochloride, 2-(4-Morpholinyl)ethyl bis(4-bromophenyl)(hydroxy)acetate hydrochloride, 2-morpholin-4-ylethyl 2,2-bis(4-bromophenyl)-2-hydroxyacetate hydrochloride, 2-(Morpholin-4-yl)ethyl bis(4-bromophenyl)(hydroxy)acetate--hydrogen chloride (1/1)
| Molecular Formula | C20H22Br2ClNO4 |
| Molecular Weight | 532.9604 g/mol |
| XLogP | 3.7447 |
| Topological Polar Surface Area (TPSA) | 59.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 532.9604 Da |
| Heavy Atoms | 28 |
| Complexity | 449.0 |
| SMILES | C1COCCN1CCOC(=O)C(C2=CC=C(C=C2)Br)(C3=CC=C(C=C3)Br)O.Cl |
| InChIKey | XKWCEIZDTFRFQV-UHFFFAOYSA-N |
The XLogP value of 3.7447 indicates that Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 2-(4-morpholinyl)ethyl ester, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.0 Ų, Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 2-(4-morpholinyl)ethyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 2-(4-morpholinyl)ethyl ester, hydrochloride has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 2-(4-morpholinyl)ethyl ester, hydrochloride is 134871-15-1.
The molecular formula of Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 2-(4-morpholinyl)ethyl ester, hydrochloride is C20H22Br2ClNO4.
The molecular weight of Benzeneacetic acid, 4-bromo-alpha-(4-bromophenyl)-alpha-hydroxy-, 2-(4-morpholinyl)ethyl ester, hydrochloride is 532.9604 g/mol.
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