![N-{2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}-beta-alanine structure](/static/products/858/858757-64-9.png)
N-{2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}-beta-alanine
TL;DR: N-{2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}-beta-alanine (CAS 858757-64-9) is a chemical compound with molecular formula C24H25NO6 and molecular weight 423.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(3-benzyl-4,8-dimethyl-2-oxochromen-7-yl)oxypropanoylamino]propanoic acid
Also Known As: EiM07-17116, N-{2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}-beta-alanine, 3-(2-((3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)propanamido)propanoic acid, 3-[2-(3-benzyl-4,8-dimethyl-2-oxo-chromen-7-yl)oxypropanoylamino]propanoic Acid, 3-[2-(3-benzyl-4,8-dimethyl-2-oxochromen-7-yl)oxypropanoylamino]propanoic acid
| Molecular Formula | C24H25NO6 |
|---|---|
| Molecular Weight | 423.17 g/mol |
| LogP | 3.35884 |
| Topological Polar Surface Area | 105.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 423.16818 |
| Heavy Atoms | 31 |
| Complexity | 1166.1433 |
Chemical Identifiers
| CAS Number | 858757-64-9 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)NCCC(=O)O)CC3=CC=CC=C3 |
Product Overview
N-{2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}-beta-alanine (CAS 858757-64-9), with molecular formula C24H25NO6 and molecular weight 423.17 g/mol. IUPAC: 3-[2-(3-benzyl-4,8-dimethyl-2-oxochromen-7-yl)oxypropanoylamino]propanoic acid.
Chemical Property Profile of N-{2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}-beta-alanine
Property Insights of N-{2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}-beta-alanine
The XLogP value of 3.35884 indicates that N-{2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}-beta-alanine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.84 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}-beta-alanine. Following Lipinski's Rule of Five, N-{2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}-beta-alanine has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-{2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}-beta-alanine?
The CAS number of N-{2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}-beta-alanine is 858757-64-9.
What is the molecular formula of N-{2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}-beta-alanine?
The molecular formula of N-{2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}-beta-alanine is C24H25NO6.
What is the molecular weight of N-{2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}-beta-alanine?
The molecular weight of N-{2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}-beta-alanine is 423.17 g/mol.
Where can I buy N-{2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}-beta-alanine?
You can request a quote for N-{2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}-beta-alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}-beta-alanine?
Yes, KEHONG BIO provides custom synthesis services for N-{2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}-beta-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.