1,1'-Trimethylenebis(thymine)
TL;DR: 1,1'-Trimethylenebis(thymine) (CAS 22917-75-5) is a chemical compound with molecular formula C13H16N4O4 and molecular weight 292.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-1-[3-(5-methyl-2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione
Also Known As: 1,1'-Trimethylenebis(thymine), 1,1'- dithymine, Thymine, 1,1'-trimethylenedi-, 1,1 -Trimethylenedithymine, 1,1 -(1,3-Propanediyl)dithymine
| Molecular Formula | C13H16N4O4 |
|---|---|
| Molecular Weight | 292.12 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 98.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 292.11716 |
| Heavy Atoms | 21 |
| Complexity | 529.0 |
Chemical Identifiers
| CAS Number | 22917-75-5 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)CCCN2C=C(C(=O)NC2=O)C |
| InChIKey | BMRBWWWZFYXCDX-UHFFFAOYSA-N |
Product Overview
1,1'-Trimethylenebis(thymine) (CAS 22917-75-5), with molecular formula C13H16N4O4 and molecular weight 292.12 g/mol. IUPAC: 5-methyl-1-[3-(5-methyl-2,4-dioxopyrimidin-1-yl)propyl]pyrimidine-2,4-dione.
Chemical Property Profile of 1,1'-Trimethylenebis(thymine)
Property Insights of 1,1'-Trimethylenebis(thymine)
The XLogP value of -0.6 indicates that 1,1'-Trimethylenebis(thymine) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 98.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1'-Trimethylenebis(thymine). Following Lipinski's Rule of Five, 1,1'-Trimethylenebis(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 1,1'-Trimethylenebis(thymine)?
The CAS number of 1,1'-Trimethylenebis(thymine) is 22917-75-5.
What is the molecular formula of 1,1'-Trimethylenebis(thymine)?
The molecular formula of 1,1'-Trimethylenebis(thymine) is C13H16N4O4.
What is the molecular weight of 1,1'-Trimethylenebis(thymine)?
The molecular weight of 1,1'-Trimethylenebis(thymine) is 292.12 g/mol.
Where can I buy 1,1'-Trimethylenebis(thymine)?
You can request a quote for 1,1'-Trimethylenebis(thymine) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-Trimethylenebis(thymine)?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-Trimethylenebis(thymine) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.