(R)-3-(benzylthio)-2-(2-((4-ethyl-7-methyl-2-oxo-2H-chromen-5-yl)oxy)acetamido)propanoic acid
TL;DR: (R)-3-(benzylthio)-2-(2-((4-ethyl-7-methyl-2-oxo-2H-chromen-5-yl)oxy)acetamido)propanoic acid (CAS 956691-56-8) is a chemical compound with molecular formula C24H25NO6S and molecular weight 455.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-3-benzylsulfanyl-2-[[2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxyacetyl]amino]propanoic acid
Also Known As: (R)-3-(benzylthio)-2-(2-((4-ethyl-7-methyl-2-oxo-2H-chromen-5-yl)oxy)acetamido)propanoic acid, S-benzyl-N-{[(4-ethyl-7-methyl-2-oxo-2H-chromen-5-yl)oxy]acetyl}-L-cysteine, (2R)-3-benzylsulfanyl-2-[[2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxyacetyl]amino]propanoic acid
| Molecular Formula | C24H25NO6S |
|---|---|
| Molecular Weight | 455.14 g/mol |
| LogP | 3.54542 |
| Topological Polar Surface Area | 105.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 455.14026 |
| Heavy Atoms | 32 |
| Complexity | 1158.3583 |
Chemical Identifiers
| CAS Number | 956691-56-8 |
|---|---|
| SMILES | CCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)N[C@@H](CSCC3=CC=CC=C3)C(=O)O |
Product Overview
(R)-3-(benzylthio)-2-(2-((4-ethyl-7-methyl-2-oxo-2H-chromen-5-yl)oxy)acetamido)propanoic acid (CAS 956691-56-8), with molecular formula C24H25NO6S and molecular weight 455.14 g/mol. IUPAC: (2R)-3-benzylsulfanyl-2-[[2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxyacetyl]amino]propanoic acid.
Chemical Property Profile of (R)-3-(benzylthio)-2-(2-((4-ethyl-7-methyl-2-oxo-2H-chromen-5-yl)oxy)acetamido)propanoic acid
Property Insights of (R)-3-(benzylthio)-2-(2-((4-ethyl-7-methyl-2-oxo-2H-chromen-5-yl)oxy)acetamido)propanoic acid
The XLogP value of 3.54542 indicates that (R)-3-(benzylthio)-2-(2-((4-ethyl-7-methyl-2-oxo-2H-chromen-5-yl)oxy)acetamido)propanoic 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 (R)-3-(benzylthio)-2-(2-((4-ethyl-7-methyl-2-oxo-2H-chromen-5-yl)oxy)acetamido)propanoic acid. Following Lipinski's Rule of Five, (R)-3-(benzylthio)-2-(2-((4-ethyl-7-methyl-2-oxo-2H-chromen-5-yl)oxy)acetamido)propanoic acid has 2 hydrogen bond donor(s) and 6 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 (R)-3-(benzylthio)-2-(2-((4-ethyl-7-methyl-2-oxo-2H-chromen-5-yl)oxy)acetamido)propanoic acid?
The CAS number of (R)-3-(benzylthio)-2-(2-((4-ethyl-7-methyl-2-oxo-2H-chromen-5-yl)oxy)acetamido)propanoic acid is 956691-56-8.
What is the molecular formula of (R)-3-(benzylthio)-2-(2-((4-ethyl-7-methyl-2-oxo-2H-chromen-5-yl)oxy)acetamido)propanoic acid?
The molecular formula of (R)-3-(benzylthio)-2-(2-((4-ethyl-7-methyl-2-oxo-2H-chromen-5-yl)oxy)acetamido)propanoic acid is C24H25NO6S.
What is the molecular weight of (R)-3-(benzylthio)-2-(2-((4-ethyl-7-methyl-2-oxo-2H-chromen-5-yl)oxy)acetamido)propanoic acid?
The molecular weight of (R)-3-(benzylthio)-2-(2-((4-ethyl-7-methyl-2-oxo-2H-chromen-5-yl)oxy)acetamido)propanoic acid is 455.14 g/mol.
Where can I buy (R)-3-(benzylthio)-2-(2-((4-ethyl-7-methyl-2-oxo-2H-chromen-5-yl)oxy)acetamido)propanoic acid?
You can request a quote for (R)-3-(benzylthio)-2-(2-((4-ethyl-7-methyl-2-oxo-2H-chromen-5-yl)oxy)acetamido)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (R)-3-(benzylthio)-2-(2-((4-ethyl-7-methyl-2-oxo-2H-chromen-5-yl)oxy)acetamido)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (R)-3-(benzylthio)-2-(2-((4-ethyl-7-methyl-2-oxo-2H-chromen-5-yl)oxy)acetamido)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.