Thymine lactone
TL;DR: Thymine lactone (CAS 68322-90-7) is a chemical compound with molecular formula C12H14N2O4 and molecular weight 250.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-1-[(2-methyl-4-methylidene-5-oxooxolan-2-yl)methyl]pyrimidine-2,4-dione
Also Known As: Thymine lactone, 4-Hydroxy-5-methyl-1-[(2-methyl-4-methylidene-5-oxooxolan-2-yl)methyl]pyrimidin-2(1H)-one, 5-methyl-1-[(2-methyl-4-methylidene-5-oxooxolan-2-yl)methyl]pyrimidine-2,4-dione
| Molecular Formula | C12H14N2O4 |
|---|---|
| Molecular Weight | 250.10 g/mol |
| LogP | 0.10682 |
| Topological Polar Surface Area | 81.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.09535 |
| Heavy Atoms | 18 |
| Complexity | 622.2129 |
Chemical Identifiers
| CAS Number | 68322-90-7 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)CC2(CC(=C)C(=O)O2)C |
Product Overview
Thymine lactone (CAS 68322-90-7), with molecular formula C12H14N2O4 and molecular weight 250.10 g/mol. IUPAC: 5-methyl-1-[(2-methyl-4-methylidene-5-oxooxolan-2-yl)methyl]pyrimidine-2,4-dione.
Chemical Property Profile of Thymine lactone
Property Insights of Thymine lactone
The XLogP value of 0.10682 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thymine lactone. The TPSA of 81.16 Ų falls within the moderate polarity range, balancing permeability and solubility for Thymine lactone. Following Lipinski's Rule of Five, Thymine lactone 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 Thymine lactone?
The CAS number of Thymine lactone is 68322-90-7.
What is the molecular formula of Thymine lactone?
The molecular formula of Thymine lactone is C12H14N2O4.
What is the molecular weight of Thymine lactone?
The molecular weight of Thymine lactone is 250.10 g/mol.
Where can I buy Thymine lactone?
You can request a quote for Thymine lactone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thymine lactone?
Yes, KEHONG BIO provides custom synthesis services for Thymine lactone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.