N(1),N(3)-Diallylthymine
TL;DR: N(1),N(3)-Diallylthymine (CAS 114066-89-6) is a chemical compound with molecular formula C11H14N2O2 and molecular weight 206.10553 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methyl-1,3-bis(prop-2-enyl)pyrimidine-2,4-dione
Also Known As: N(1),N(3)-Diallylthymine, 1,3-Diallylthymine, 5-methyl-1,3-bis(prop-2-enyl)pyrimidine-2,4-dione, BAS 01838707, BIM-0003908.P001
Technical Specifications
| Molecular Formula | C11H14N2O2 |
| Molecular Weight | 206.10553 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 206.10553 Da |
| Heavy Atoms | 15 |
| Complexity | 344.0 |
| SMILES | CC1=CN(C(=O)N(C1=O)CC=C)CC=C |
| InChIKey | LPHRAHGTESHZNN-UHFFFAOYSA-N |
Chemical Property Profile of N(1),N(3)-Diallylthymine
Property Insights of N(1),N(3)-Diallylthymine
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N(1),N(3)-Diallylthymine. With a topological polar surface area (TPSA) of 40.6 Ų, N(1),N(3)-Diallylthymine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N(1),N(3)-Diallylthymine has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N(1),N(3)-Diallylthymine?
The CAS number of N(1),N(3)-Diallylthymine is 114066-89-6.
What is the molecular formula of N(1),N(3)-Diallylthymine?
The molecular formula of N(1),N(3)-Diallylthymine is C11H14N2O2.
What is the molecular weight of N(1),N(3)-Diallylthymine?
The molecular weight of N(1),N(3)-Diallylthymine is 206.10553 g/mol.
Where can I buy N(1),N(3)-Diallylthymine?
You can request a quote for N(1),N(3)-Diallylthymine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N(1),N(3)-Diallylthymine?
Yes, CoreyChem provides custom synthesis services for N(1),N(3)-Diallylthymine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.