![N-{2-[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]propanoyl}-beta-alanine structure](/static/products/858/858754-52-6.png)
N-{2-[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]propanoyl}-beta-alanine
TL;DR: N-{2-[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]propanoyl}-beta-alanine (CAS 858754-52-6) is a chemical compound with molecular formula C18H21NO6 and molecular weight 347.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxypropanoylamino]propanoic acid
Also Known As: EiM07-17058, N-{2-[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]propanoyl}-beta-alanine, 3-[2-(3,4,7-trimethyl-2-oxo-chromen-5-yl)oxypropanoylamino]propanoic Acid, 3-[2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxypropanoylamino]propanoic acid, 3-(2-((3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy)propanamido)propanoic acid
| Molecular Formula | C18H21NO6 |
|---|---|
| Molecular Weight | 347.14 g/mol |
| LogP | 2.07646 |
| Topological Polar Surface Area | 105.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 347.1369 |
| Heavy Atoms | 25 |
| Complexity | 883.2458 |
Chemical Identifiers
| CAS Number | 858754-52-6 |
|---|---|
| SMILES | CC1=CC2=C(C(=C(C(=O)O2)C)C)C(=C1)OC(C)C(=O)NCCC(=O)O |
Product Overview
N-{2-[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]propanoyl}-beta-alanine (CAS 858754-52-6), with molecular formula C18H21NO6 and molecular weight 347.14 g/mol. IUPAC: 3-[2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxypropanoylamino]propanoic acid.
Chemical Property Profile of N-{2-[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]propanoyl}-beta-alanine
Property Insights of N-{2-[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]propanoyl}-beta-alanine
The XLogP value of 2.07646 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-{2-[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]propanoyl}-beta-alanine. The TPSA of 105.84 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{2-[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]propanoyl}-beta-alanine. Following Lipinski's Rule of Five, N-{2-[(3,4,7-trimethyl-2-oxo-2H-chromen-5-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-[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]propanoyl}-beta-alanine?
The CAS number of N-{2-[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]propanoyl}-beta-alanine is 858754-52-6.
What is the molecular formula of N-{2-[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]propanoyl}-beta-alanine?
The molecular formula of N-{2-[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]propanoyl}-beta-alanine is C18H21NO6.
What is the molecular weight of N-{2-[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]propanoyl}-beta-alanine?
The molecular weight of N-{2-[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]propanoyl}-beta-alanine is 347.14 g/mol.
Where can I buy N-{2-[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]propanoyl}-beta-alanine?
You can request a quote for N-{2-[(3,4,7-trimethyl-2-oxo-2H-chromen-5-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-[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]propanoyl}-beta-alanine?
Yes, KEHONG BIO provides custom synthesis services for N-{2-[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]propanoyl}-beta-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.