4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-6-oxo-2-thioxo-
TL;DR: 4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-6-oxo-2-thioxo- (CAS 6953-78-2) is a chemical compound with molecular formula C5H4N2O3S and molecular weight 171.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid
Also Known As: Mercaptoorotic acid, 2-Thioorotic acid, 6-Carboxy-2-thiouracil, Orotic acid, 2-thio-, 2-Thioorotic acid (VAN)
| Molecular Formula | C5H4N2O3S |
|---|---|
| Molecular Weight | 171.99 g/mol |
| LogP | 0.13069 |
| Topological Polar Surface Area | 85.95 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 171.99426 |
| Heavy Atoms | 11 |
| Complexity | 362.95428 |
Chemical Identifiers
| CAS Number | 6953-78-2 |
|---|---|
| SMILES | C1=C(NC(=S)NC1=O)C(=O)O |
Product Overview
4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-6-oxo-2-thioxo- (CAS 6953-78-2), with molecular formula C5H4N2O3S and molecular weight 171.99 g/mol. IUPAC: 4-oxo-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid.
Chemical Property Profile of 4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-6-oxo-2-thioxo-
Property Insights of 4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-6-oxo-2-thioxo-
The XLogP value of 0.13069 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-6-oxo-2-thioxo-. The TPSA of 85.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-6-oxo-2-thioxo-. Following Lipinski's Rule of Five, 4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-6-oxo-2-thioxo- 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-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-6-oxo-2-thioxo-?
The CAS number of 4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-6-oxo-2-thioxo- is 6953-78-2.
What is the molecular formula of 4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-6-oxo-2-thioxo-?
The molecular formula of 4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-6-oxo-2-thioxo- is C5H4N2O3S.
What is the molecular weight of 4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-6-oxo-2-thioxo-?
The molecular weight of 4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-6-oxo-2-thioxo- is 171.99 g/mol.
Where can I buy 4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-6-oxo-2-thioxo-?
You can request a quote for 4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-6-oxo-2-thioxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-6-oxo-2-thioxo-?
Yes, KEHONG BIO provides custom synthesis services for 4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-6-oxo-2-thioxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.