TL;DR: (S)-3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl 2-(((benzyloxy)carbonyl)amino)propanoate (CAS 956241-01-3) is a chemical compound with molecular formula C25H25NO6 and molecular weight 435.16818 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl) (2S)-2-(phenylmethoxycarbonylamino)propanoate
Also Known As: (S)-3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl 2-(((benzyloxy)carbonyl)amino)propanoate, (3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl) (2S)-2-(phenylmethoxycarbonylamino)propanoate, 3-METHYL-6-OXO-6H,7H,8H,9H,10H-CYCLOHEXA[C]CHROMEN-1-YL 2-{[(BENZYLOXY)CARBONYL]AMINO}PROPANOATE, 3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl N-[(benzyloxy)carbonyl]-L-alaninate
| Molecular Formula | C25H25NO6 |
| Molecular Weight | 435.16818 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 90.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 435.16818 Da |
| Heavy Atoms | 32 |
| Complexity | 756.0 |
| SMILES | CC1=CC2=C(C3=C(CCCC3)C(=O)O2)C(=C1)OC(=O)[C@H](C)NC(=O)OCC4=CC=CC=C4 |
| InChIKey | ZRVMDRCXMJXGOO-INIZCTEOSA-N |
The XLogP value of 4.6 indicates that (S)-3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl 2-(((benzyloxy)carbonyl)amino)propanoate 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 (S)-3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl 2-(((benzyloxy)carbonyl)amino)propanoate. Following Lipinski's Rule of Five, (S)-3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl 2-(((benzyloxy)carbonyl)amino)propanoate 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 (S)-3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl 2-(((benzyloxy)carbonyl)amino)propanoate is 956241-01-3.
The molecular formula of (S)-3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl 2-(((benzyloxy)carbonyl)amino)propanoate is C25H25NO6.
The molecular weight of (S)-3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl 2-(((benzyloxy)carbonyl)amino)propanoate is 435.16818 g/mol.
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