TL;DR: Chloromethyl 6-{[(tert-butoxy)carbonyl]amino}hexanoate (CAS 150109-44-7) is a chemical compound with molecular formula C12H22ClNO4 and molecular weight 279.12375 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
chloromethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
Also Known As: Chloromethyl 6-{[(tert-butoxy)carbonyl]amino}hexanoate, 6-(Boc-amino)caproic acid chloromethyl ester, Chloromethyl 6-((tert-butoxycarbonyl)amino)hexanoate, chloromethyl 6-(tert-butoxycarbonylamino)hexanoate, Chloromethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
| Molecular Formula | C12H22ClNO4 |
| Molecular Weight | 279.12375 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 279.12375 Da |
| Heavy Atoms | 18 |
| Complexity | 263.0 |
| SMILES | CC(C)(C)OC(=O)NCCCCCC(=O)OCCl |
| InChIKey | LXMMQAQHJDYVOF-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chloromethyl 6-{[(tert-butoxy)carbonyl]amino}hexanoate. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Chloromethyl 6-{[(tert-butoxy)carbonyl]amino}hexanoate. Following Lipinski's Rule of Five, Chloromethyl 6-{[(tert-butoxy)carbonyl]amino}hexanoate 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 Chloromethyl 6-{[(tert-butoxy)carbonyl]amino}hexanoate is 150109-44-7.
The molecular formula of Chloromethyl 6-{[(tert-butoxy)carbonyl]amino}hexanoate is C12H22ClNO4.
The molecular weight of Chloromethyl 6-{[(tert-butoxy)carbonyl]amino}hexanoate is 279.12375 g/mol.
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