3-(5-ethyl-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)-2-hydroxyiminopropanoic acid
TL;DR: 3-(5-ethyl-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)-2-hydroxyiminopropanoic acid (CAS 3310-26-7) is a chemical compound with molecular formula C9H11N3O4S and molecular weight 257.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-ethyl-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)-2-hydroxyiminopropanoic acid
Also Known As: (2Z)-3-(5-ethyl-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)-2-h, 3-(5-ethyl-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)-2-hydroxyiminopropanoic acid
| Molecular Formula | C9H11N3O4S |
|---|---|
| Molecular Weight | 257.05 g/mol |
| LogP | 0.45219 |
| Topological Polar Surface Area | 118.54 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 257.04703 |
| Heavy Atoms | 17 |
| Complexity | 572.33905 |
Chemical Identifiers
| CAS Number | 3310-26-7 |
|---|---|
| SMILES | CCC1=C(NC(=S)NC1=O)CC(=NO)C(=O)O |
Product Overview
3-(5-ethyl-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)-2-hydroxyiminopropanoic acid (CAS 3310-26-7), with molecular formula C9H11N3O4S and molecular weight 257.05 g/mol. IUPAC: 3-(5-ethyl-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)-2-hydroxyiminopropanoic acid.
Chemical Property Profile of 3-(5-ethyl-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)-2-hydroxyiminopropanoic acid
Property Insights of 3-(5-ethyl-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)-2-hydroxyiminopropanoic acid
The XLogP value of 0.45219 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5-ethyl-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)-2-hydroxyiminopropanoic acid. The TPSA of 118.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-ethyl-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)-2-hydroxyiminopropanoic acid. Following Lipinski's Rule of Five, 3-(5-ethyl-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)-2-hydroxyiminopropanoic acid has 4 hydrogen bond donor(s) and 5 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 3-(5-ethyl-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)-2-hydroxyiminopropanoic acid?
The CAS number of 3-(5-ethyl-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)-2-hydroxyiminopropanoic acid is 3310-26-7.
What is the molecular formula of 3-(5-ethyl-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)-2-hydroxyiminopropanoic acid?
The molecular formula of 3-(5-ethyl-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)-2-hydroxyiminopropanoic acid is C9H11N3O4S.
What is the molecular weight of 3-(5-ethyl-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)-2-hydroxyiminopropanoic acid?
The molecular weight of 3-(5-ethyl-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)-2-hydroxyiminopropanoic acid is 257.05 g/mol.
Where can I buy 3-(5-ethyl-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)-2-hydroxyiminopropanoic acid?
You can request a quote for 3-(5-ethyl-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)-2-hydroxyiminopropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5-ethyl-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)-2-hydroxyiminopropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-ethyl-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)-2-hydroxyiminopropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.