TL;DR: 6-oxo-6H-benzo[c]chromen-3-yl N-(tert-butoxycarbonyl)-D-valinate (CAS 1212235-99-8) is a chemical compound with molecular formula C23H25NO6 and molecular weight 411.16818 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6-oxobenzo[c]chromen-3-yl) (2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
Also Known As: EiM07-16312, 6-oxo-6H-benzo[c]chromen-3-yl N-(tert-butoxycarbonyl)-D-valinate, (R)-6-oxo-6H-benzo[c]chromen-3-yl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate, (6-oxobenzo[c]chromen-3-yl) (2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
| Molecular Formula | C23H25NO6 |
| Molecular Weight | 411.16818 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 90.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 411.16818 Da |
| Heavy Atoms | 30 |
| Complexity | 655.0 |
| SMILES | CC(C)[C@H](C(=O)OC1=CC2=C(C=C1)C3=CC=CC=C3C(=O)O2)NC(=O)OC(C)(C)C |
| InChIKey | LHMXGOVSWXBCQC-LJQANCHMSA-N |
The XLogP value of 4.9 indicates that 6-oxo-6H-benzo[c]chromen-3-yl N-(tert-butoxycarbonyl)-D-valinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-oxo-6H-benzo[c]chromen-3-yl N-(tert-butoxycarbonyl)-D-valinate. Following Lipinski's Rule of Five, 6-oxo-6H-benzo[c]chromen-3-yl N-(tert-butoxycarbonyl)-D-valinate has 1 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 6-oxo-6H-benzo[c]chromen-3-yl N-(tert-butoxycarbonyl)-D-valinate is 1212235-99-8.
The molecular formula of 6-oxo-6H-benzo[c]chromen-3-yl N-(tert-butoxycarbonyl)-D-valinate is C23H25NO6.
The molecular weight of 6-oxo-6H-benzo[c]chromen-3-yl N-(tert-butoxycarbonyl)-D-valinate is 411.16818 g/mol.
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