TL;DR: 4-methyl-2-oxo-3-propyl-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]norvalinate (CAS 1396966-13-4) is a chemical compound with molecular formula C25H29NO6S and molecular weight 471.17157 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-methyl-2-oxo-3-propylchromen-7-yl) 2-[(4-methylphenyl)sulfonylamino]pentanoate
Also Known As: EiM07-16387, 4-methyl-2-oxo-3-propyl-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]norvalinate, (4-methyl-2-oxo-3-propylchromen-7-yl) 2-[(4-methylphenyl)sulfonylamino]pentanoate, 4-METHYL-2-OXO-3-PROPYL-2H-CHROMEN-7-YL 2-(4-METHYLBENZENESULFONAMIDO)PENTANOATE, 4-methyl-2-oxo-3-propyl-2H-chromen-7-yl 2-(4-methylphenylsulfonamido)pentanoate
| Molecular Formula | C25H29NO6S |
| Molecular Weight | 471.17157 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 471.17157 Da |
| Heavy Atoms | 33 |
| Complexity | 837.0 |
| SMILES | CCCC1=C(C2=C(C=C(C=C2)OC(=O)C(CCC)NS(=O)(=O)C3=CC=C(C=C3)C)OC1=O)C |
| InChIKey | NRUPTTMVFRIDQH-UHFFFAOYSA-N |
The XLogP value of 5.3 indicates that 4-methyl-2-oxo-3-propyl-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]norvalinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methyl-2-oxo-3-propyl-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]norvalinate. Following Lipinski's Rule of Five, 4-methyl-2-oxo-3-propyl-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]norvalinate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 4-methyl-2-oxo-3-propyl-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]norvalinate is 1396966-13-4.
The molecular formula of 4-methyl-2-oxo-3-propyl-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]norvalinate is C25H29NO6S.
The molecular weight of 4-methyl-2-oxo-3-propyl-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]norvalinate is 471.17157 g/mol.
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