![(S)-2-(5-ethyl-8-oxo-5,8-dihydro-[1,3]dioxolo[4,5-g]quinoline-7-carboxamido)-4-(methylthio)butanoic acid structure](/static/products/956/956626-63-4.png)
(S)-2-(5-ethyl-8-oxo-5,8-dihydro-[1,3]dioxolo[4,5-g]quinoline-7-carboxamido)-4-(methylthio)butanoic acid
TL;DR: (S)-2-(5-ethyl-8-oxo-5,8-dihydro-[1,3]dioxolo[4,5-g]quinoline-7-carboxamido)-4-(methylthio)butanoic acid (CAS 956626-63-4) is a chemical compound with molecular formula C18H20N2O6S and molecular weight 392.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[(5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carbonyl)amino]-4-methylsulfanylbutanoic acid
Also Known As: (S)-2-(5-ethyl-8-oxo-5,8-dihydro-[1,3]dioxolo[4,5-g]quinoline-7-carboxamido)-4-(methylthio)butanoic acid, (2S)-2-[(5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carbonyl)amino]-4-methylsulfanylbutanoic acid
| Molecular Formula | C18H20N2O6S |
|---|---|
| Molecular Weight | 392.10 g/mol |
| LogP | 1.6862 |
| Topological Polar Surface Area | 106.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 392.10422 |
| Heavy Atoms | 27 |
| Complexity | 954.99786 |
Chemical Identifiers
| CAS Number | 956626-63-4 |
|---|---|
| SMILES | CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)N[C@@H](CCSC)C(=O)O |
Product Overview
(S)-2-(5-ethyl-8-oxo-5,8-dihydro-[1,3]dioxolo[4,5-g]quinoline-7-carboxamido)-4-(methylthio)butanoic acid (CAS 956626-63-4), with molecular formula C18H20N2O6S and molecular weight 392.10 g/mol. IUPAC: (2S)-2-[(5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carbonyl)amino]-4-methylsulfanylbutanoic acid.
Chemical Property Profile of (S)-2-(5-ethyl-8-oxo-5,8-dihydro-[1,3]dioxolo[4,5-g]quinoline-7-carboxamido)-4-(methylthio)butanoic acid
Property Insights of (S)-2-(5-ethyl-8-oxo-5,8-dihydro-[1,3]dioxolo[4,5-g]quinoline-7-carboxamido)-4-(methylthio)butanoic acid
The XLogP value of 1.6862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-(5-ethyl-8-oxo-5,8-dihydro-[1,3]dioxolo[4,5-g]quinoline-7-carboxamido)-4-(methylthio)butanoic acid. The TPSA of 106.86 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-(5-ethyl-8-oxo-5,8-dihydro-[1,3]dioxolo[4,5-g]quinoline-7-carboxamido)-4-(methylthio)butanoic acid. Following Lipinski's Rule of Five, (S)-2-(5-ethyl-8-oxo-5,8-dihydro-[1,3]dioxolo[4,5-g]quinoline-7-carboxamido)-4-(methylthio)butanoic acid has 2 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-(5-ethyl-8-oxo-5,8-dihydro-[1,3]dioxolo[4,5-g]quinoline-7-carboxamido)-4-(methylthio)butanoic acid?
The CAS number of (S)-2-(5-ethyl-8-oxo-5,8-dihydro-[1,3]dioxolo[4,5-g]quinoline-7-carboxamido)-4-(methylthio)butanoic acid is 956626-63-4.
What is the molecular formula of (S)-2-(5-ethyl-8-oxo-5,8-dihydro-[1,3]dioxolo[4,5-g]quinoline-7-carboxamido)-4-(methylthio)butanoic acid?
The molecular formula of (S)-2-(5-ethyl-8-oxo-5,8-dihydro-[1,3]dioxolo[4,5-g]quinoline-7-carboxamido)-4-(methylthio)butanoic acid is C18H20N2O6S.
What is the molecular weight of (S)-2-(5-ethyl-8-oxo-5,8-dihydro-[1,3]dioxolo[4,5-g]quinoline-7-carboxamido)-4-(methylthio)butanoic acid?
The molecular weight of (S)-2-(5-ethyl-8-oxo-5,8-dihydro-[1,3]dioxolo[4,5-g]quinoline-7-carboxamido)-4-(methylthio)butanoic acid is 392.10 g/mol.
Where can I buy (S)-2-(5-ethyl-8-oxo-5,8-dihydro-[1,3]dioxolo[4,5-g]quinoline-7-carboxamido)-4-(methylthio)butanoic acid?
You can request a quote for (S)-2-(5-ethyl-8-oxo-5,8-dihydro-[1,3]dioxolo[4,5-g]quinoline-7-carboxamido)-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-(5-ethyl-8-oxo-5,8-dihydro-[1,3]dioxolo[4,5-g]quinoline-7-carboxamido)-4-(methylthio)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-2-(5-ethyl-8-oxo-5,8-dihydro-[1,3]dioxolo[4,5-g]quinoline-7-carboxamido)-4-(methylthio)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.