3-(2-Mercapto-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)propanoic acid
TL;DR: 3-(2-Mercapto-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)propanoic acid (CAS 945-12-0) is a chemical compound with molecular formula C8H10N2O3S and molecular weight 214.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoic acid
Also Known As: 3-(2-mercapto-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)propanoic acid, 3-(4-methyl-6-oxo-2-sulfanyl-1,6-dihydropyrimidin-5-yl)propanoic acid, 3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoic acid, 3-(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)propanoic acid, A2925/0123117
| Molecular Formula | C8H10N2O3S |
|---|---|
| Molecular Weight | 214.04 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 214.04121 |
| Heavy Atoms | 14 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 945-12-0 |
|---|---|
| SMILES | CC1=C(C(=O)NC(=S)N1)CCC(=O)O |
| InChIKey | XXPAJXVOQAZZJC-UHFFFAOYSA-N |
Product Overview
3-(2-Mercapto-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)propanoic acid (CAS 945-12-0), with molecular formula C8H10N2O3S and molecular weight 214.04 g/mol. IUPAC: 3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoic acid.
Chemical Property Profile of 3-(2-Mercapto-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)propanoic acid
Property Insights of 3-(2-Mercapto-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)propanoic acid
The XLogP value of -0.2 indicates that 3-(2-Mercapto-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)propanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Mercapto-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)propanoic acid. Following Lipinski's Rule of Five, 3-(2-Mercapto-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)propanoic acid has 3 hydrogen bond donor(s) and 4 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-(2-Mercapto-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)propanoic acid?
The CAS number of 3-(2-Mercapto-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)propanoic acid is 945-12-0.
What is the molecular formula of 3-(2-Mercapto-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)propanoic acid?
The molecular formula of 3-(2-Mercapto-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)propanoic acid is C8H10N2O3S.
What is the molecular weight of 3-(2-Mercapto-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)propanoic acid?
The molecular weight of 3-(2-Mercapto-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)propanoic acid is 214.04 g/mol.
Where can I buy 3-(2-Mercapto-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)propanoic acid?
You can request a quote for 3-(2-Mercapto-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Mercapto-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Mercapto-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.