![(2S)-3-methyl-2-[3-[4-methyl-7-(2-methylprop-2-enoxy)-2-oxochromen-3-yl]propanoylamino]butanoic acid structure](/static/products/956/956609-01-1.png)
(2S)-3-methyl-2-[3-[4-methyl-7-(2-methylprop-2-enoxy)-2-oxochromen-3-yl]propanoylamino]butanoic acid
TL;DR: (2S)-3-methyl-2-[3-[4-methyl-7-(2-methylprop-2-enoxy)-2-oxochromen-3-yl]propanoylamino]butanoic acid (CAS 956609-01-1) is a chemical compound with molecular formula C22H27NO6 and molecular weight 401.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-methyl-2-[3-[4-methyl-7-(2-methylprop-2-enoxy)-2-oxochromen-3-yl]propanoylamino]butanoic acid
Also Known As: (2S)-3-methyl-2-[3-[4-methyl-7-(2-methylprop-2-enoxy)-2-oxochromen-3-yl]propanoylamino]butanoic acid, (S)-3-methyl-2-(3-(4-methyl-7-((2-methylallyl)oxy)-2-oxo-2H-chromen-3-yl)propanamido)butanoic acid, N-(3-{4-methyl-7-[(2-methylprop-2-en-1-yl)oxy]-2-oxo-2H-chromen-3-yl}propanoyl)-L-valine
| Molecular Formula | C22H27NO6 |
|---|---|
| Molecular Weight | 401.18 g/mol |
| LogP | 3.21432 |
| Topological Polar Surface Area | 105.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 401.18384 |
| Heavy Atoms | 29 |
| Complexity | 988.69543 |
Chemical Identifiers
| CAS Number | 956609-01-1 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=C)C)CCC(=O)N[C@@H](C(C)C)C(=O)O |
Product Overview
(2S)-3-methyl-2-[3-[4-methyl-7-(2-methylprop-2-enoxy)-2-oxochromen-3-yl]propanoylamino]butanoic acid (CAS 956609-01-1), with molecular formula C22H27NO6 and molecular weight 401.18 g/mol. IUPAC: (2S)-3-methyl-2-[3-[4-methyl-7-(2-methylprop-2-enoxy)-2-oxochromen-3-yl]propanoylamino]butanoic acid.
Chemical Property Profile of (2S)-3-methyl-2-[3-[4-methyl-7-(2-methylprop-2-enoxy)-2-oxochromen-3-yl]propanoylamino]butanoic acid
Property Insights of (2S)-3-methyl-2-[3-[4-methyl-7-(2-methylprop-2-enoxy)-2-oxochromen-3-yl]propanoylamino]butanoic acid
The XLogP value of 3.21432 indicates that (2S)-3-methyl-2-[3-[4-methyl-7-(2-methylprop-2-enoxy)-2-oxochromen-3-yl]propanoylamino]butanoic acid 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 (2S)-3-methyl-2-[3-[4-methyl-7-(2-methylprop-2-enoxy)-2-oxochromen-3-yl]propanoylamino]butanoic acid. Following Lipinski's Rule of Five, (2S)-3-methyl-2-[3-[4-methyl-7-(2-methylprop-2-enoxy)-2-oxochromen-3-yl]propanoylamino]butanoic acid 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 (2S)-3-methyl-2-[3-[4-methyl-7-(2-methylprop-2-enoxy)-2-oxochromen-3-yl]propanoylamino]butanoic acid?
The CAS number of (2S)-3-methyl-2-[3-[4-methyl-7-(2-methylprop-2-enoxy)-2-oxochromen-3-yl]propanoylamino]butanoic acid is 956609-01-1.
What is the molecular formula of (2S)-3-methyl-2-[3-[4-methyl-7-(2-methylprop-2-enoxy)-2-oxochromen-3-yl]propanoylamino]butanoic acid?
The molecular formula of (2S)-3-methyl-2-[3-[4-methyl-7-(2-methylprop-2-enoxy)-2-oxochromen-3-yl]propanoylamino]butanoic acid is C22H27NO6.
What is the molecular weight of (2S)-3-methyl-2-[3-[4-methyl-7-(2-methylprop-2-enoxy)-2-oxochromen-3-yl]propanoylamino]butanoic acid?
The molecular weight of (2S)-3-methyl-2-[3-[4-methyl-7-(2-methylprop-2-enoxy)-2-oxochromen-3-yl]propanoylamino]butanoic acid is 401.18 g/mol.
Where can I buy (2S)-3-methyl-2-[3-[4-methyl-7-(2-methylprop-2-enoxy)-2-oxochromen-3-yl]propanoylamino]butanoic acid?
You can request a quote for (2S)-3-methyl-2-[3-[4-methyl-7-(2-methylprop-2-enoxy)-2-oxochromen-3-yl]propanoylamino]butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-3-methyl-2-[3-[4-methyl-7-(2-methylprop-2-enoxy)-2-oxochromen-3-yl]propanoylamino]butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-3-methyl-2-[3-[4-methyl-7-(2-methylprop-2-enoxy)-2-oxochromen-3-yl]propanoylamino]butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.