4-(ethylthio)-2-(3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido)butanoic acid
TL;DR: 4-(ethylthio)-2-(3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido)butanoic acid (CAS 1008981-34-7) is a chemical compound with molecular formula C20H25NO6S and molecular weight 407.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethylsulfanyl-2-[3-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)propanoylamino]butanoic acid
Also Known As: 4-(ethylthio)-2-(3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido)butanoic acid, 4-ethylsulfanyl-2-[3-(7-hydroxy-4,8-dimethyl-2-oxo-chromen-3-yl)propanoylamino]butanoic Acid, 4-ethylsulfanyl-2-[3-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)propanoylamino]butanoic acid
| Molecular Formula | C20H25NO6S |
|---|---|
| Molecular Weight | 407.14 g/mol |
| LogP | 2.76064 |
| Topological Polar Surface Area | 116.84 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 407.14026 |
| Heavy Atoms | 28 |
| Complexity | 936.41833 |
Chemical Identifiers
| CAS Number | 1008981-34-7 |
|---|---|
| SMILES | CCSCCC(C(=O)O)NC(=O)CCC1=C(C2=C(C(=C(C=C2)O)C)OC1=O)C |
Product Overview
4-(ethylthio)-2-(3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido)butanoic acid (CAS 1008981-34-7), with molecular formula C20H25NO6S and molecular weight 407.14 g/mol. IUPAC: 4-ethylsulfanyl-2-[3-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)propanoylamino]butanoic acid.
Chemical Property Profile of 4-(ethylthio)-2-(3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido)butanoic acid
Property Insights of 4-(ethylthio)-2-(3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido)butanoic acid
The XLogP value of 2.76064 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(ethylthio)-2-(3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido)butanoic acid. The TPSA of 116.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(ethylthio)-2-(3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido)butanoic acid. Following Lipinski's Rule of Five, 4-(ethylthio)-2-(3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido)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 4-(ethylthio)-2-(3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido)butanoic acid?
The CAS number of 4-(ethylthio)-2-(3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido)butanoic acid is 1008981-34-7.
What is the molecular formula of 4-(ethylthio)-2-(3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido)butanoic acid?
The molecular formula of 4-(ethylthio)-2-(3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido)butanoic acid is C20H25NO6S.
What is the molecular weight of 4-(ethylthio)-2-(3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido)butanoic acid?
The molecular weight of 4-(ethylthio)-2-(3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido)butanoic acid is 407.14 g/mol.
Where can I buy 4-(ethylthio)-2-(3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido)butanoic acid?
You can request a quote for 4-(ethylthio)-2-(3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(ethylthio)-2-(3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(ethylthio)-2-(3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.