3-(2-Carboxyethyl)thymine
TL;DR: 3-(2-Carboxyethyl)thymine (CAS 74423-09-9) is a chemical compound with molecular formula C8H10N2O4 and molecular weight 198.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid
Also Known As: 3-(2-Carboxyethyl)thymine, N-n-propyllactamide, 3-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid, 1(2H)-Pyrimidinepropanoic acid, 3,6-dihydro-5-methyl-2,6-dioxo-, 1(2H)-Pyrimidinepropanoicacid, 3,6-dihydro-5-methyl-2,6-dioxo-
| Molecular Formula | C8H10N2O4 |
|---|---|
| Molecular Weight | 198.06 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.06406 |
| Heavy Atoms | 14 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 74423-09-9 |
|---|---|
| SMILES | CC1=CNC(=O)N(C1=O)CCC(=O)O |
| InChIKey | FCQZARGENYSGQL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2-Carboxyethyl)thymine (CAS 74423-09-9), with molecular formula C8H10N2O4 and molecular weight 198.06 g/mol. IUPAC: 3-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid.
Chemical Property Profile of 3-(2-Carboxyethyl)thymine
Property Insights of 3-(2-Carboxyethyl)thymine
The XLogP value of -0.9 indicates that 3-(2-Carboxyethyl)thymine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Carboxyethyl)thymine. Following Lipinski's Rule of Five, 3-(2-Carboxyethyl)thymine has 2 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 3-(2-Carboxyethyl)thymine?
The CAS number of 3-(2-Carboxyethyl)thymine is 74423-09-9.
What is the molecular formula of 3-(2-Carboxyethyl)thymine?
The molecular formula of 3-(2-Carboxyethyl)thymine is C8H10N2O4.
What is the molecular weight of 3-(2-Carboxyethyl)thymine?
The molecular weight of 3-(2-Carboxyethyl)thymine is 198.06 g/mol.
Where can I buy 3-(2-Carboxyethyl)thymine?
You can request a quote for 3-(2-Carboxyethyl)thymine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Carboxyethyl)thymine?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Carboxyethyl)thymine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.