(S)-3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)-N-(1-hydroxy-4-(methylthio)butan-2-yl)propanamide
TL;DR: (S)-3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)-N-(1-hydroxy-4-(methylthio)butan-2-yl)propanamide (CAS 956609-04-4) is a chemical compound with molecular formula C19H25NO5S and molecular weight 379.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]propanamide
Also Known As: (S)-3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)-N-(1-hydroxy-4-(methylthio)butan-2-yl)propanamide, 3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)-N-[(2S)-1-hydroxy-4-(methylsulfanyl)butan-2-yl]propanamide, 3-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]propanamide
| Molecular Formula | C19H25NO5S |
|---|---|
| Molecular Weight | 379.15 g/mol |
| LogP | 2.27824 |
| Topological Polar Surface Area | 99.77 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 379.14536 |
| Heavy Atoms | 26 |
| Complexity | 845.9189 |
Chemical Identifiers
| CAS Number | 956609-04-4 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2C)O)CCC(=O)N[C@@H](CCSC)CO |
Product Overview
(S)-3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)-N-(1-hydroxy-4-(methylthio)butan-2-yl)propanamide (CAS 956609-04-4), with molecular formula C19H25NO5S and molecular weight 379.15 g/mol. IUPAC: 3-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]propanamide.
Chemical Property Profile of (S)-3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)-N-(1-hydroxy-4-(methylthio)butan-2-yl)propanamide
Property Insights of (S)-3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)-N-(1-hydroxy-4-(methylthio)butan-2-yl)propanamide
The XLogP value of 2.27824 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)-N-(1-hydroxy-4-(methylthio)butan-2-yl)propanamide. The TPSA of 99.77 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)-N-(1-hydroxy-4-(methylthio)butan-2-yl)propanamide. Following Lipinski's Rule of Five, (S)-3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)-N-(1-hydroxy-4-(methylthio)butan-2-yl)propanamide 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)-3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)-N-(1-hydroxy-4-(methylthio)butan-2-yl)propanamide?
The CAS number of (S)-3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)-N-(1-hydroxy-4-(methylthio)butan-2-yl)propanamide is 956609-04-4.
What is the molecular formula of (S)-3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)-N-(1-hydroxy-4-(methylthio)butan-2-yl)propanamide?
The molecular formula of (S)-3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)-N-(1-hydroxy-4-(methylthio)butan-2-yl)propanamide is C19H25NO5S.
What is the molecular weight of (S)-3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)-N-(1-hydroxy-4-(methylthio)butan-2-yl)propanamide?
The molecular weight of (S)-3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)-N-(1-hydroxy-4-(methylthio)butan-2-yl)propanamide is 379.15 g/mol.
Where can I buy (S)-3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)-N-(1-hydroxy-4-(methylthio)butan-2-yl)propanamide?
You can request a quote for (S)-3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)-N-(1-hydroxy-4-(methylthio)butan-2-yl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)-N-(1-hydroxy-4-(methylthio)butan-2-yl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for (S)-3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)-N-(1-hydroxy-4-(methylthio)butan-2-yl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.