2-(((5-(Ethoxycarbonyl)-2-oxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)thio)acetic acid
TL;DR: 2-(((5-(Ethoxycarbonyl)-2-oxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)thio)acetic acid (CAS 848289-95-2) is a chemical compound with molecular formula C10H14N2O5S and molecular weight 274.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methylsulfanyl]acetic acid
Also Known As: 2-(((5-(Ethoxycarbonyl)-2-oxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)thio)acetic acid, 2-[(5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methylsulfanyl]acetic acid, 2-[(5-ethoxycarbonyl-2-oxo-3,6-dihydro-1H-pyrimidin-4-yl)methylsulfanyl]acetic Acid
| Molecular Formula | C10H14N2O5S |
|---|---|
| Molecular Weight | 274.06 g/mol |
| LogP | -0.0658 |
| Topological Polar Surface Area | 104.73 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 274.06235 |
| Heavy Atoms | 18 |
| Complexity | 393.72928 |
Chemical Identifiers
| CAS Number | 848289-95-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=O)NC1)CSCC(=O)O |
Product Overview
2-(((5-(Ethoxycarbonyl)-2-oxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)thio)acetic acid (CAS 848289-95-2), with molecular formula C10H14N2O5S and molecular weight 274.06 g/mol. IUPAC: 2-[(5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methylsulfanyl]acetic acid.
Chemical Property Profile of 2-(((5-(Ethoxycarbonyl)-2-oxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)thio)acetic acid
Property Insights of 2-(((5-(Ethoxycarbonyl)-2-oxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)thio)acetic acid
The XLogP value of -0.0658 indicates that 2-(((5-(Ethoxycarbonyl)-2-oxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)thio)acetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(((5-(Ethoxycarbonyl)-2-oxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)thio)acetic acid. Following Lipinski's Rule of Five, 2-(((5-(Ethoxycarbonyl)-2-oxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)thio)acetic acid has 3 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 2-(((5-(Ethoxycarbonyl)-2-oxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)thio)acetic acid?
The CAS number of 2-(((5-(Ethoxycarbonyl)-2-oxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)thio)acetic acid is 848289-95-2.
What is the molecular formula of 2-(((5-(Ethoxycarbonyl)-2-oxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)thio)acetic acid?
The molecular formula of 2-(((5-(Ethoxycarbonyl)-2-oxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)thio)acetic acid is C10H14N2O5S.
What is the molecular weight of 2-(((5-(Ethoxycarbonyl)-2-oxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)thio)acetic acid?
The molecular weight of 2-(((5-(Ethoxycarbonyl)-2-oxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)thio)acetic acid is 274.06 g/mol.
Where can I buy 2-(((5-(Ethoxycarbonyl)-2-oxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)thio)acetic acid?
You can request a quote for 2-(((5-(Ethoxycarbonyl)-2-oxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)thio)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(((5-(Ethoxycarbonyl)-2-oxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)thio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(((5-(Ethoxycarbonyl)-2-oxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)thio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.