(R)-3-(benzylthio)-2-(2-(7-hydroxy-2-oxo-2H-chromen-4-yl)acetamido)propanoic acid
TL;DR: (R)-3-(benzylthio)-2-(2-(7-hydroxy-2-oxo-2H-chromen-4-yl)acetamido)propanoic acid (CAS 956237-21-1) is a chemical compound with molecular formula C21H19NO6S and molecular weight 413.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-3-benzylsulfanyl-2-[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]propanoic acid
Also Known As: (R)-3-(benzylthio)-2-(2-(7-hydroxy-2-oxo-2H-chromen-4-yl)acetamido)propanoic acid, (2R)-3-benzylsulfanyl-2-[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]propanoic acid, 3-benzylsulfanyl-2-[[2-(7-hydroxy-2-oxo-chromen-4-yl)acetyl]amino]propanoic Acid
| Molecular Formula | C21H19NO6S |
|---|---|
| Molecular Weight | 413.09 g/mol |
| LogP | 2.5439 |
| Topological Polar Surface Area | 116.84 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 413.09332 |
| Heavy Atoms | 29 |
| Complexity | 1079.4716 |
Chemical Identifiers
| CAS Number | 956237-21-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC[C@@H](C(=O)O)NC(=O)CC2=CC(=O)OC3=C2C=CC(=C3)O |
Product Overview
(R)-3-(benzylthio)-2-(2-(7-hydroxy-2-oxo-2H-chromen-4-yl)acetamido)propanoic acid (CAS 956237-21-1), with molecular formula C21H19NO6S and molecular weight 413.09 g/mol. IUPAC: (2R)-3-benzylsulfanyl-2-[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]propanoic acid.
Chemical Property Profile of (R)-3-(benzylthio)-2-(2-(7-hydroxy-2-oxo-2H-chromen-4-yl)acetamido)propanoic acid
Property Insights of (R)-3-(benzylthio)-2-(2-(7-hydroxy-2-oxo-2H-chromen-4-yl)acetamido)propanoic acid
The XLogP value of 2.5439 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (R)-3-(benzylthio)-2-(2-(7-hydroxy-2-oxo-2H-chromen-4-yl)acetamido)propanoic acid. The TPSA of 116.84 Ų falls within the moderate polarity range, balancing permeability and solubility for (R)-3-(benzylthio)-2-(2-(7-hydroxy-2-oxo-2H-chromen-4-yl)acetamido)propanoic acid. Following Lipinski's Rule of Five, (R)-3-(benzylthio)-2-(2-(7-hydroxy-2-oxo-2H-chromen-4-yl)acetamido)propanoic acid has 3 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-(7-hydroxy-2-oxo-2H-chromen-4-yl)acetamido)propanoic acid?
The CAS number of (R)-3-(benzylthio)-2-(2-(7-hydroxy-2-oxo-2H-chromen-4-yl)acetamido)propanoic acid is 956237-21-1.
What is the molecular formula of (R)-3-(benzylthio)-2-(2-(7-hydroxy-2-oxo-2H-chromen-4-yl)acetamido)propanoic acid?
The molecular formula of (R)-3-(benzylthio)-2-(2-(7-hydroxy-2-oxo-2H-chromen-4-yl)acetamido)propanoic acid is C21H19NO6S.
What is the molecular weight of (R)-3-(benzylthio)-2-(2-(7-hydroxy-2-oxo-2H-chromen-4-yl)acetamido)propanoic acid?
The molecular weight of (R)-3-(benzylthio)-2-(2-(7-hydroxy-2-oxo-2H-chromen-4-yl)acetamido)propanoic acid is 413.09 g/mol.
Where can I buy (R)-3-(benzylthio)-2-(2-(7-hydroxy-2-oxo-2H-chromen-4-yl)acetamido)propanoic acid?
You can request a quote for (R)-3-(benzylthio)-2-(2-(7-hydroxy-2-oxo-2H-chromen-4-yl)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-(7-hydroxy-2-oxo-2H-chromen-4-yl)acetamido)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (R)-3-(benzylthio)-2-(2-(7-hydroxy-2-oxo-2H-chromen-4-yl)acetamido)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.