4-Thioorotate
TL;DR: 4-Thioorotate (CAS 6303-57-7) 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.
2-oxo-4-sulfanylidene-1H-pyrimidine-6-carboxylic acid
Also Known As: 4-thioorotate, 2-oxo-4-sulfanylidene-1H-pyrimidine-6-carboxylic acid, 2-Oxo-6-sulfanylidene-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
| 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 | 6303-57-7 |
|---|---|
| SMILES | C1=C(NC(=O)NC1=S)C(=O)O |
Product Overview
4-Thioorotate (CAS 6303-57-7), with molecular formula C5H4N2O3S and molecular weight 171.99 g/mol. IUPAC: 2-oxo-4-sulfanylidene-1H-pyrimidine-6-carboxylic acid.
Chemical Property Profile of 4-Thioorotate
Property Insights of 4-Thioorotate
The XLogP value of 0.13069 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Thioorotate. The TPSA of 85.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Thioorotate. Following Lipinski's Rule of Five, 4-Thioorotate 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-Thioorotate?
The CAS number of 4-Thioorotate is 6303-57-7.
What is the molecular formula of 4-Thioorotate?
The molecular formula of 4-Thioorotate is C5H4N2O3S.
What is the molecular weight of 4-Thioorotate?
The molecular weight of 4-Thioorotate is 171.99 g/mol.
Where can I buy 4-Thioorotate?
You can request a quote for 4-Thioorotate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Thioorotate?
Yes, KEHONG BIO provides custom synthesis services for 4-Thioorotate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.