TL;DR: N-[3-(3-tert-butyl-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]norvaline (CAS 1008411-80-0) is a chemical compound with molecular formula C24H29NO6 and molecular weight 427.1995 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-(3-tert-butyl-5-methyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]pentanoic acid
Also Known As: EiM07-28608, N-[3-(3-tert-butyl-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]norvaline, 2-[3-(3-tert-butyl-5-methyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]pentanoic acid, 2-(3-(3-(tert-butyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)pentanoic acid, 2-(3-{3-TERT-BUTYL-5-METHYL-7-OXO-7H-FURO[3,2-G]CHROMEN-6-YL}PROPANAMIDO)PENTANOIC ACID
| Molecular Formula | C24H29NO6 |
| Molecular Weight | 427.1995 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 427.1995 Da |
| Heavy Atoms | 31 |
| Complexity | 752.0 |
| SMILES | CCCC(C(=O)O)NC(=O)CCC1=C(C2=CC3=C(C=C2OC1=O)OC=C3C(C)(C)C)C |
| InChIKey | IPIRWNMQBWYGBT-UHFFFAOYSA-N |
The XLogP value of 4.3 indicates that N-[3-(3-tert-butyl-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]norvaline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[3-(3-tert-butyl-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]norvaline. Following Lipinski's Rule of Five, N-[3-(3-tert-butyl-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]norvaline has 2 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 N-[3-(3-tert-butyl-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]norvaline is 1008411-80-0.
The molecular formula of N-[3-(3-tert-butyl-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]norvaline is C24H29NO6.
The molecular weight of N-[3-(3-tert-butyl-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]norvaline is 427.1995 g/mol.
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