2,4(1H,3H)-Pyrimidinedione, 5-butyl-
TL;DR: 2,4(1H,3H)-Pyrimidinedione, 5-butyl- (CAS 5442-52-4) is a chemical compound with molecular formula C8H12N2O2 and molecular weight 168.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-butyl-1H-pyrimidine-2,4-dione
Also Known As: 5-Butyluracil, 5-n-Butyluracil, Uracil, 5-butyl-, 2,4(1H,3H)-Pyrimidinedione, 5-butyl-, 5-butylpyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C8H12N2O2 |
|---|---|
| Molecular Weight | 168.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 168.08987 |
| Heavy Atoms | 12 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 5442-52-4 |
|---|---|
| SMILES | CCCCC1=CNC(=O)NC1=O |
| InChIKey | CFGDUDUEDQSSKF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4(1H,3H)-Pyrimidinedione, 5-butyl- (CAS 5442-52-4), with molecular formula C8H12N2O2 and molecular weight 168.09 g/mol. IUPAC: 5-butyl-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 2,4(1H,3H)-Pyrimidinedione, 5-butyl-
Property Insights of 2,4(1H,3H)-Pyrimidinedione, 5-butyl-
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4(1H,3H)-Pyrimidinedione, 5-butyl-. With a topological polar surface area (TPSA) of 58.2 Ų, 2,4(1H,3H)-Pyrimidinedione, 5-butyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4(1H,3H)-Pyrimidinedione, 5-butyl- has 2 hydrogen bond donor(s) and 2 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 2,4(1H,3H)-Pyrimidinedione, 5-butyl-?
The CAS number of 2,4(1H,3H)-Pyrimidinedione, 5-butyl- is 5442-52-4.
What is the molecular formula of 2,4(1H,3H)-Pyrimidinedione, 5-butyl-?
The molecular formula of 2,4(1H,3H)-Pyrimidinedione, 5-butyl- is C8H12N2O2.
What is the molecular weight of 2,4(1H,3H)-Pyrimidinedione, 5-butyl-?
The molecular weight of 2,4(1H,3H)-Pyrimidinedione, 5-butyl- is 168.09 g/mol.
Where can I buy 2,4(1H,3H)-Pyrimidinedione, 5-butyl-?
You can request a quote for 2,4(1H,3H)-Pyrimidinedione, 5-butyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4(1H,3H)-Pyrimidinedione, 5-butyl-?
Yes, KEHONG BIO provides custom synthesis services for 2,4(1H,3H)-Pyrimidinedione, 5-butyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.