1,3-Dimethyl-5-benzyluracil
TL;DR: 1,3-Dimethyl-5-benzyluracil (CAS 28495-87-6) is a chemical compound with molecular formula C13H14N2O2 and molecular weight 230.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzyl-1,3-dimethylpyrimidine-2,4-dione
Also Known As: 1,3-dimethyl-5-benzyluracil, 5-benzyl-1,3-dimethylpyrimidine-2,4-dione, J2.289.667I, 5-Benzyl-1,3-dimethylpyrimidine-2,4(1H,3H)-dione, 1,3-Dimethyl-5-benzyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
| Molecular Formula | C13H14N2O2 |
|---|---|
| Molecular Weight | 230.11 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.10553 |
| Heavy Atoms | 17 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 28495-87-6 |
|---|---|
| SMILES | CN1C=C(C(=O)N(C1=O)C)CC2=CC=CC=C2 |
| InChIKey | RRKHAJSWFATKKC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dimethyl-5-benzyluracil (CAS 28495-87-6), with molecular formula C13H14N2O2 and molecular weight 230.11 g/mol. IUPAC: 5-benzyl-1,3-dimethylpyrimidine-2,4-dione.
Chemical Property Profile of 1,3-Dimethyl-5-benzyluracil
Property Insights of 1,3-Dimethyl-5-benzyluracil
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethyl-5-benzyluracil. With a topological polar surface area (TPSA) of 40.6 Ų, 1,3-Dimethyl-5-benzyluracil exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dimethyl-5-benzyluracil 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
Frequently Asked Questions
What is the CAS number of 1,3-Dimethyl-5-benzyluracil?
The CAS number of 1,3-Dimethyl-5-benzyluracil is 28495-87-6.
What is the molecular formula of 1,3-Dimethyl-5-benzyluracil?
The molecular formula of 1,3-Dimethyl-5-benzyluracil is C13H14N2O2.
What is the molecular weight of 1,3-Dimethyl-5-benzyluracil?
The molecular weight of 1,3-Dimethyl-5-benzyluracil is 230.11 g/mol.
Where can I buy 1,3-Dimethyl-5-benzyluracil?
You can request a quote for 1,3-Dimethyl-5-benzyluracil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethyl-5-benzyluracil?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl-5-benzyluracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.