TL;DR: L-N-t-Boc-2-bromomethyl Glycine Allyl Ester (CAS 1219341-78-2) is a chemical compound with molecular formula C11H18BrNO4 and molecular weight 307.04193 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
prop-2-enyl 3-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Also Known As: L-N-t-Boc-2-bromomethyl Glycine Allyl Ester, Prop-2-enyl 3-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate, Prop-2-en-1-yl 3-bromo-N-(tert-butoxycarbonyl)alaninate, 3-Bromo-N-[(1,1-dimethylethoxy)carbonyl]-L-alanine 2-Propen-1-yl Ester
| Molecular Formula | C11H18BrNO4 |
| Molecular Weight | 307.04193 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 307.04193 Da |
| Heavy Atoms | 17 |
| Complexity | 286.0 |
| SMILES | CC(C)(C)OC(=O)NC(CBr)C(=O)OCC=C |
| InChIKey | XDOUMZBQABKMPE-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for L-N-t-Boc-2-bromomethyl Glycine Allyl Ester. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for L-N-t-Boc-2-bromomethyl Glycine Allyl Ester. Following Lipinski's Rule of Five, L-N-t-Boc-2-bromomethyl Glycine Allyl Ester 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 L-N-t-Boc-2-bromomethyl Glycine Allyl Ester is 1219341-78-2.
The molecular formula of L-N-t-Boc-2-bromomethyl Glycine Allyl Ester is C11H18BrNO4.
The molecular weight of L-N-t-Boc-2-bromomethyl Glycine Allyl Ester is 307.04193 g/mol.
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