Ethyl ((2-hydroxy-4-pyrimidinyl)thio)acetate
TL;DR: Ethyl ((2-hydroxy-4-pyrimidinyl)thio)acetate (CAS 7500-14-3) 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.
ethyl 2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetate
Also Known As: 4-Ethoxycarbonylmethylthiouracil, Ethyl ((2-hydroxy-4-pyrimidinyl)thio)acetate, 4-ethoxycarbonylmethylthio-uracil, 4-(Ethoxycarbonylmethyl)thiouracil, NCI60_015338
| Molecular Formula | C8H10N2O3S |
|---|---|
| Molecular Weight | 214.04 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 214.04121 |
| Heavy Atoms | 14 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 7500-14-3 |
|---|---|
| SMILES | CCOC(=O)CSC1=CC=NC(=O)N1 |
| InChIKey | TUUWXOJYEBBXNH-UHFFFAOYSA-N |
Product Overview
Ethyl ((2-hydroxy-4-pyrimidinyl)thio)acetate (CAS 7500-14-3), with molecular formula C8H10N2O3S and molecular weight 214.04 g/mol. IUPAC: ethyl 2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetate.
Chemical Property Profile of Ethyl ((2-hydroxy-4-pyrimidinyl)thio)acetate
Property Insights of Ethyl ((2-hydroxy-4-pyrimidinyl)thio)acetate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl ((2-hydroxy-4-pyrimidinyl)thio)acetate. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl ((2-hydroxy-4-pyrimidinyl)thio)acetate. Following Lipinski's Rule of Five, Ethyl ((2-hydroxy-4-pyrimidinyl)thio)acetate has 1 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 Ethyl ((2-hydroxy-4-pyrimidinyl)thio)acetate?
The CAS number of Ethyl ((2-hydroxy-4-pyrimidinyl)thio)acetate is 7500-14-3.
What is the molecular formula of Ethyl ((2-hydroxy-4-pyrimidinyl)thio)acetate?
The molecular formula of Ethyl ((2-hydroxy-4-pyrimidinyl)thio)acetate is C8H10N2O3S.
What is the molecular weight of Ethyl ((2-hydroxy-4-pyrimidinyl)thio)acetate?
The molecular weight of Ethyl ((2-hydroxy-4-pyrimidinyl)thio)acetate is 214.04 g/mol.
Where can I buy Ethyl ((2-hydroxy-4-pyrimidinyl)thio)acetate?
You can request a quote for Ethyl ((2-hydroxy-4-pyrimidinyl)thio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl ((2-hydroxy-4-pyrimidinyl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl ((2-hydroxy-4-pyrimidinyl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.