(4-Oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetic acid
TL;DR: (4-Oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetic acid (CAS 29571-43-5) is a chemical compound with molecular formula C6H6N2O3S and molecular weight 186.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)acetic acid
Also Known As: 5-carboxymethyl-2-thiouracil, 2-(4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl)acetic acid, (4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetic acid, 1,2,3,4-tetrahydro-4-oxo-2-thioxo-5-Pyrimidineacetic acid, 2-(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)acetic acid
| Molecular Formula | C6H6N2O3S |
|---|---|
| Molecular Weight | 186.01 g/mol |
| LogP | 0.05959 |
| Topological Polar Surface Area | 85.95 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.00992 |
| Heavy Atoms | 12 |
| Complexity | 405.7445 |
Chemical Identifiers
| CAS Number | 29571-43-5 |
|---|---|
| SMILES | C1=C(C(=O)NC(=S)N1)CC(=O)O |
Product Overview
(4-Oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetic acid (CAS 29571-43-5), with molecular formula C6H6N2O3S and molecular weight 186.01 g/mol. IUPAC: 2-(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)acetic acid.
Chemical Property Profile of (4-Oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetic acid
Property Insights of (4-Oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetic acid
The XLogP value of 0.05959 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetic acid. The TPSA of 85.95 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetic acid. Following Lipinski's Rule of Five, (4-Oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetic acid has 3 hydrogen bond donor(s) and 3 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 (4-Oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetic acid?
The CAS number of (4-Oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetic acid is 29571-43-5.
What is the molecular formula of (4-Oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetic acid?
The molecular formula of (4-Oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetic acid is C6H6N2O3S.
What is the molecular weight of (4-Oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetic acid?
The molecular weight of (4-Oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetic acid is 186.01 g/mol.
Where can I buy (4-Oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetic acid?
You can request a quote for (4-Oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (4-Oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.