2-(6-Oxo-2-thioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamido)acetic acid
TL;DR: 2-(6-Oxo-2-thioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamido)acetic acid (CAS 89139-32-2) is a chemical compound with molecular formula C7H7N3O4S and molecular weight 229.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbonyl)amino]acetic acid
Also Known As: BAS 00733239, 2-(6-Oxo-2-thioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamido)acetic acid, Glycine, N-[(1,2,3,6-tetrahydro-6-oxo-2-thioxo-4-pyrimidinyl)carbonyl]-, 2-[(4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbonyl)amino]acetic acid, 2-[(6-oxo-2-thioxo-1,3-dihydropyrimidin-4-yl)carbonylamino]acetic acid
| Molecular Formula | C7H7N3O4S |
|---|---|
| Molecular Weight | 229.02 g/mol |
| LogP | -0.75311 |
| Topological Polar Surface Area | 115.05 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.01573 |
| Heavy Atoms | 15 |
| Complexity | 475.19702 |
Chemical Identifiers
| CAS Number | 89139-32-2 |
|---|---|
| SMILES | C1=C(NC(=S)NC1=O)C(=O)NCC(=O)O |
Product Overview
2-(6-Oxo-2-thioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamido)acetic acid (CAS 89139-32-2), with molecular formula C7H7N3O4S and molecular weight 229.02 g/mol. IUPAC: 2-[(4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbonyl)amino]acetic acid.
Chemical Property Profile of 2-(6-Oxo-2-thioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamido)acetic acid
Property Insights of 2-(6-Oxo-2-thioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamido)acetic acid
The XLogP value of -0.75311 indicates that 2-(6-Oxo-2-thioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamido)acetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 115.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(6-Oxo-2-thioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamido)acetic acid. Following Lipinski's Rule of Five, 2-(6-Oxo-2-thioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamido)acetic acid has 4 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 2-(6-Oxo-2-thioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamido)acetic acid?
The CAS number of 2-(6-Oxo-2-thioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamido)acetic acid is 89139-32-2.
What is the molecular formula of 2-(6-Oxo-2-thioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamido)acetic acid?
The molecular formula of 2-(6-Oxo-2-thioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamido)acetic acid is C7H7N3O4S.
What is the molecular weight of 2-(6-Oxo-2-thioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamido)acetic acid?
The molecular weight of 2-(6-Oxo-2-thioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamido)acetic acid is 229.02 g/mol.
Where can I buy 2-(6-Oxo-2-thioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamido)acetic acid?
You can request a quote for 2-(6-Oxo-2-thioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamido)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-(6-Oxo-2-thioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamido)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(6-Oxo-2-thioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamido)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.