1-But-3-enyl-5-methylpyrimidine-2,4-dione
TL;DR: 1-But-3-enyl-5-methylpyrimidine-2,4-dione (CAS 7236-72-8) is a chemical compound with molecular formula C9H12N2O2 and molecular weight 180.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-but-3-enyl-5-methylpyrimidine-2,4-dione
Also Known As: 1-(Buten-(3)-yl)-thymin, 1-but-3-enyl-5-methylpyrimidine-2,4-dione, 1-but-3-enyl-5-methyl-1H-pyrimidine-2,4-dione, 1-(But-3-en-1-yl)-4-hydroxy-5-methylpyrimidin-2(1H)-one
| Molecular Formula | C9H12N2O2 |
|---|---|
| Molecular Weight | 180.09 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.08987 |
| Heavy Atoms | 13 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 7236-72-8 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)CCC=C |
| InChIKey | MSJWDVBVKLQCMG-UHFFFAOYSA-N |
Product Overview
1-But-3-enyl-5-methylpyrimidine-2,4-dione (CAS 7236-72-8), with molecular formula C9H12N2O2 and molecular weight 180.09 g/mol. IUPAC: 1-but-3-enyl-5-methylpyrimidine-2,4-dione.
Chemical Property Profile of 1-But-3-enyl-5-methylpyrimidine-2,4-dione
Property Insights of 1-But-3-enyl-5-methylpyrimidine-2,4-dione
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-But-3-enyl-5-methylpyrimidine-2,4-dione. With a topological polar surface area (TPSA) of 49.4 Ų, 1-But-3-enyl-5-methylpyrimidine-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-But-3-enyl-5-methylpyrimidine-2,4-dione 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 1-But-3-enyl-5-methylpyrimidine-2,4-dione?
The CAS number of 1-But-3-enyl-5-methylpyrimidine-2,4-dione is 7236-72-8.
What is the molecular formula of 1-But-3-enyl-5-methylpyrimidine-2,4-dione?
The molecular formula of 1-But-3-enyl-5-methylpyrimidine-2,4-dione is C9H12N2O2.
What is the molecular weight of 1-But-3-enyl-5-methylpyrimidine-2,4-dione?
The molecular weight of 1-But-3-enyl-5-methylpyrimidine-2,4-dione is 180.09 g/mol.
Where can I buy 1-But-3-enyl-5-methylpyrimidine-2,4-dione?
You can request a quote for 1-But-3-enyl-5-methylpyrimidine-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-But-3-enyl-5-methylpyrimidine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-But-3-enyl-5-methylpyrimidine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.