(R)-2-(2-((3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-(benzylthio)propanoic acid
TL;DR: (R)-2-(2-((3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-(benzylthio)propanoic acid (CAS 956048-94-5) is a chemical compound with molecular formula C29H27NO6S and molecular weight 517.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-[[2-(3-benzyl-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-benzylsulfanylpropanoic acid
Also Known As: (R)-2-(2-((3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-(benzylthio)propanoic acid, S-benzyl-N-{[(3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}-L-cysteine, (2R)-2-[[2-(3-benzyl-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-benzylsulfanylpropanoic acid
| Molecular Formula | C29H27NO6S |
|---|---|
| Molecular Weight | 517.16 g/mol |
| LogP | 4.57382 |
| Topological Polar Surface Area | 105.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 517.1559 |
| Heavy Atoms | 37 |
| Complexity | 1435.7582 |
Chemical Identifiers
| CAS Number | 956048-94-5 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)N[C@@H](CSCC3=CC=CC=C3)C(=O)O)CC4=CC=CC=C4 |
Product Overview
(R)-2-(2-((3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-(benzylthio)propanoic acid (CAS 956048-94-5), with molecular formula C29H27NO6S and molecular weight 517.16 g/mol. IUPAC: (2R)-2-[[2-(3-benzyl-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-benzylsulfanylpropanoic acid.
Chemical Property Profile of (R)-2-(2-((3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-(benzylthio)propanoic acid
Property Insights of (R)-2-(2-((3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-(benzylthio)propanoic acid
The XLogP value of 4.57382 indicates that (R)-2-(2-((3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-(benzylthio)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)-2-(2-((3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-(benzylthio)propanoic acid. Following Lipinski's Rule of Five, (R)-2-(2-((3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-(benzylthio)propanoic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (R)-2-(2-((3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-(benzylthio)propanoic acid?
The CAS number of (R)-2-(2-((3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-(benzylthio)propanoic acid is 956048-94-5.
What is the molecular formula of (R)-2-(2-((3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-(benzylthio)propanoic acid?
The molecular formula of (R)-2-(2-((3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-(benzylthio)propanoic acid is C29H27NO6S.
What is the molecular weight of (R)-2-(2-((3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-(benzylthio)propanoic acid?
The molecular weight of (R)-2-(2-((3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-(benzylthio)propanoic acid is 517.16 g/mol.
Where can I buy (R)-2-(2-((3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-(benzylthio)propanoic acid?
You can request a quote for (R)-2-(2-((3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-(benzylthio)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)-2-(2-((3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-(benzylthio)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (R)-2-(2-((3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-(benzylthio)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.