(S)-2-(3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido)-4-(methylthio)butanoic acid
TL;DR: (S)-2-(3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido)-4-(methylthio)butanoic acid (CAS 956627-00-2) is a chemical compound with molecular formula C19H23NO6S and molecular weight 393.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[3-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)propanoylamino]-4-methylsulfanylbutanoic acid
Also Known As: (S)-2-(3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido)-4-(methylthio)butanoic acid, (2S)-2-[3-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)propanoylamino]-4-methylsulfanylbutanoic acid, 2-[3-(7-hydroxy-4,8-dimethyl-2-oxo-chromen-3-yl)propanoylamino]-4-methylsulfanyl-butanoic Acid
| Molecular Formula | C19H23NO6S |
|---|---|
| Molecular Weight | 393.12 g/mol |
| LogP | 2.37054 |
| Topological Polar Surface Area | 116.84 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 393.1246 |
| Heavy Atoms | 27 |
| Complexity | 920.5363 |
Chemical Identifiers
| CAS Number | 956627-00-2 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2C)O)CCC(=O)N[C@@H](CCSC)C(=O)O |
Product Overview
(S)-2-(3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido)-4-(methylthio)butanoic acid (CAS 956627-00-2), with molecular formula C19H23NO6S and molecular weight 393.12 g/mol. IUPAC: (2S)-2-[3-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)propanoylamino]-4-methylsulfanylbutanoic acid.
Chemical Property Profile of (S)-2-(3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido)-4-(methylthio)butanoic acid
Property Insights of (S)-2-(3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido)-4-(methylthio)butanoic acid
The XLogP value of 2.37054 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-(3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido)-4-(methylthio)butanoic acid. The TPSA of 116.84 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-(3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido)-4-(methylthio)butanoic acid. Following Lipinski's Rule of Five, (S)-2-(3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido)-4-(methylthio)butanoic 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 (S)-2-(3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido)-4-(methylthio)butanoic acid?
The CAS number of (S)-2-(3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido)-4-(methylthio)butanoic acid is 956627-00-2.
What is the molecular formula of (S)-2-(3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido)-4-(methylthio)butanoic acid?
The molecular formula of (S)-2-(3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido)-4-(methylthio)butanoic acid is C19H23NO6S.
What is the molecular weight of (S)-2-(3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido)-4-(methylthio)butanoic acid?
The molecular weight of (S)-2-(3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido)-4-(methylthio)butanoic acid is 393.12 g/mol.
Where can I buy (S)-2-(3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido)-4-(methylthio)butanoic acid?
You can request a quote for (S)-2-(3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido)-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-(3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido)-4-(methylthio)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-2-(3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido)-4-(methylthio)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.