![methyl 3-[(5-ethyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-4-[(4-fluoro-3-nitrophenyl)amino]-4-oxobutanoate structure](/static/products/810/810627-41-9.png)
methyl 3-[(5-ethyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-4-[(4-fluoro-3-nitrophenyl)amino]-4-oxobutanoate
TL;DR: methyl 3-[(5-ethyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-4-[(4-fluoro-3-nitrophenyl)amino]-4-oxobutanoate (CAS 810627-41-9) is a chemical compound with molecular formula C17H17FN4O7S and molecular weight 440.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-4-(4-fluoro-3-nitroanilino)-4-oxobutanoate
Also Known As: methyl 3-[(5-ethyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-4-[(4-fluoro-3-nitrophenyl)amino]-4-oxobutanoate, methyl 3-((5-ethyl-4,6-dihydroxypyrimidin-2-yl)thio)-4-((4-fluoro-3-nitrophenyl)amino)-4-oxobutanoate, methyl 3-(5-ethyl-4,6-dihydroxypyrimidin-2-ylthio)-3-[N-(4-fluoro-3-nitropheny l)carbamoyl]propanoate, METHYL 3-[(5-ETHYL-4,6-DIHYDROXYPYRIMIDIN-2-YL)SULFANYL]-3-[(4-FLUORO-3-NITROPHENYL)CARBAMOYL]PROPANOATE, methyl 3-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-4-(4-fluoro-3-nitroanilino)-4-oxobutanoate
| Molecular Formula | C17H17FN4O7S |
|---|---|
| Molecular Weight | 440.08 g/mol |
| LogP | 1.7477 |
| Topological Polar Surface Area | 164.52 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 440.0802 |
| Heavy Atoms | 30 |
| Complexity | 1043.2521 |
Chemical Identifiers
| CAS Number | 810627-41-9 |
|---|---|
| SMILES | CCC1=C(N=C(NC1=O)SC(CC(=O)OC)C(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])O |
Product Overview
methyl 3-[(5-ethyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-4-[(4-fluoro-3-nitrophenyl)amino]-4-oxobutanoate (CAS 810627-41-9), with molecular formula C17H17FN4O7S and molecular weight 440.08 g/mol. IUPAC: methyl 3-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-4-(4-fluoro-3-nitroanilino)-4-oxobutanoate.
Chemical Property Profile of methyl 3-[(5-ethyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-4-[(4-fluoro-3-nitrophenyl)amino]-4-oxobutanoate
Property Insights of methyl 3-[(5-ethyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-4-[(4-fluoro-3-nitrophenyl)amino]-4-oxobutanoate
The XLogP value of 1.7477 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-[(5-ethyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-4-[(4-fluoro-3-nitrophenyl)amino]-4-oxobutanoate. The TPSA of 164.52 Ų indicates high polarity, suggesting methyl 3-[(5-ethyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-4-[(4-fluoro-3-nitrophenyl)amino]-4-oxobutanoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, methyl 3-[(5-ethyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-4-[(4-fluoro-3-nitrophenyl)amino]-4-oxobutanoate has 3 hydrogen bond donor(s) and 9 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 methyl 3-[(5-ethyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-4-[(4-fluoro-3-nitrophenyl)amino]-4-oxobutanoate?
The CAS number of methyl 3-[(5-ethyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-4-[(4-fluoro-3-nitrophenyl)amino]-4-oxobutanoate is 810627-41-9.
What is the molecular formula of methyl 3-[(5-ethyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-4-[(4-fluoro-3-nitrophenyl)amino]-4-oxobutanoate?
The molecular formula of methyl 3-[(5-ethyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-4-[(4-fluoro-3-nitrophenyl)amino]-4-oxobutanoate is C17H17FN4O7S.
What is the molecular weight of methyl 3-[(5-ethyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-4-[(4-fluoro-3-nitrophenyl)amino]-4-oxobutanoate?
The molecular weight of methyl 3-[(5-ethyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-4-[(4-fluoro-3-nitrophenyl)amino]-4-oxobutanoate is 440.08 g/mol.
Where can I buy methyl 3-[(5-ethyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-4-[(4-fluoro-3-nitrophenyl)amino]-4-oxobutanoate?
You can request a quote for methyl 3-[(5-ethyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-4-[(4-fluoro-3-nitrophenyl)amino]-4-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-[(5-ethyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-4-[(4-fluoro-3-nitrophenyl)amino]-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-[(5-ethyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-4-[(4-fluoro-3-nitrophenyl)amino]-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.