3-Butyluracil
TL;DR: 3-Butyluracil (CAS 28289-95-4) 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.
3-butyl-1H-pyrimidine-2,4-dione
Also Known As: 3-Butyluracil, Uracil, 3-butyl-, 3-butyl uracil, 2,4(1H,3H)-Pyrimidinedione, 3-butyl-, 3-butyl-1H-pyrimidine-2,4-dione
| Molecular Formula | C8H12N2O2 |
|---|---|
| Molecular Weight | 168.09 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 168.08987 |
| Heavy Atoms | 12 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 28289-95-4 |
|---|---|
| SMILES | CCCCN1C(=O)C=CNC1=O |
| InChIKey | RCRMCLIRQDBAGO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Butyluracil (CAS 28289-95-4), with molecular formula C8H12N2O2 and molecular weight 168.09 g/mol. IUPAC: 3-butyl-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 3-Butyluracil
Property Insights of 3-Butyluracil
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Butyluracil. With a topological polar surface area (TPSA) of 49.4 Ų, 3-Butyluracil exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butyluracil has 1 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 3-Butyluracil?
The CAS number of 3-Butyluracil is 28289-95-4.
What is the molecular formula of 3-Butyluracil?
The molecular formula of 3-Butyluracil is C8H12N2O2.
What is the molecular weight of 3-Butyluracil?
The molecular weight of 3-Butyluracil is 168.09 g/mol.
Where can I buy 3-Butyluracil?
You can request a quote for 3-Butyluracil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butyluracil?
Yes, KEHONG BIO provides custom synthesis services for 3-Butyluracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.