(S)-2-(2-((4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-4-(methylthio)butanoic acid
TL;DR: (S)-2-(2-((4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-4-(methylthio)butanoic acid (CAS 956046-03-0) is a chemical compound with molecular formula C24H25NO7S and molecular weight 471.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[2-[4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl]oxyacetyl]amino]-4-methylsulfanylbutanoic acid
Also Known As: (S)-2-(2-((4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-4-(methylthio)butanoic acid, N-({[4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl]oxy}acetyl)-L-methionine, (2S)-2-[[2-[4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl]oxyacetyl]amino]-4-methylsulfanylbutanoic acid
| Molecular Formula | C24H25NO7S |
|---|---|
| Molecular Weight | 471.14 g/mol |
| LogP | 3.47832 |
| Topological Polar Surface Area | 115.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 471.13516 |
| Heavy Atoms | 33 |
| Complexity | 1203.8986 |
Chemical Identifiers
| CAS Number | 956046-03-0 |
|---|---|
| SMILES | CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=C(C=C3)OC)OCC(=O)N[C@@H](CCSC)C(=O)O |
Product Overview
(S)-2-(2-((4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-4-(methylthio)butanoic acid (CAS 956046-03-0), with molecular formula C24H25NO7S and molecular weight 471.14 g/mol. IUPAC: (2S)-2-[[2-[4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl]oxyacetyl]amino]-4-methylsulfanylbutanoic acid.
Chemical Property Profile of (S)-2-(2-((4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-4-(methylthio)butanoic acid
Property Insights of (S)-2-(2-((4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-4-(methylthio)butanoic acid
The XLogP value of 3.47832 indicates that (S)-2-(2-((4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-4-(methylthio)butanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.07 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-(2-((4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-4-(methylthio)butanoic acid. Following Lipinski's Rule of Five, (S)-2-(2-((4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-4-(methylthio)butanoic acid has 2 hydrogen bond donor(s) and 7 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 (S)-2-(2-((4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-4-(methylthio)butanoic acid?
The CAS number of (S)-2-(2-((4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-4-(methylthio)butanoic acid is 956046-03-0.
What is the molecular formula of (S)-2-(2-((4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-4-(methylthio)butanoic acid?
The molecular formula of (S)-2-(2-((4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-4-(methylthio)butanoic acid is C24H25NO7S.
What is the molecular weight of (S)-2-(2-((4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-4-(methylthio)butanoic acid?
The molecular weight of (S)-2-(2-((4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-4-(methylthio)butanoic acid is 471.14 g/mol.
Where can I buy (S)-2-(2-((4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-4-(methylthio)butanoic acid?
You can request a quote for (S)-2-(2-((4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-4-(methylthio)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-2-(2-((4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-4-(methylthio)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-2-(2-((4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-4-(methylthio)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.