1,3-Dichloro-5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: 1,3-Dichloro-5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione (CAS 35871-22-8) is a chemical compound with molecular formula C12H10Cl2N2O3 and molecular weight 300.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dichloro-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
Also Known As: N,N'-dichlorophenobarbital, 1,3-dichloro-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione, 1,3-Dichloro-5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dichloro-5-ethyl-5-phenyl-, RefChem:218438
| Molecular Formula | C12H10Cl2N2O3 |
|---|---|
| Molecular Weight | 300.01 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 57.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 300.00684 |
| Heavy Atoms | 19 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 35871-22-8 |
|---|---|
| SMILES | CCC1(C(=O)N(C(=O)N(C1=O)Cl)Cl)C2=CC=CC=C2 |
| InChIKey | WLOPXSPGUKEGFT-UHFFFAOYSA-N |
Product Overview
1,3-Dichloro-5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione (CAS 35871-22-8), with molecular formula C12H10Cl2N2O3 and molecular weight 300.01 g/mol. IUPAC: 1,3-dichloro-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 1,3-Dichloro-5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of 1,3-Dichloro-5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dichloro-5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione. With a topological polar surface area (TPSA) of 57.7 Ų, 1,3-Dichloro-5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dichloro-5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione has 0 hydrogen bond donor(s) and 3 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-Dichloro-5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of 1,3-Dichloro-5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione is 35871-22-8.
What is the molecular formula of 1,3-Dichloro-5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of 1,3-Dichloro-5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione is C12H10Cl2N2O3.
What is the molecular weight of 1,3-Dichloro-5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of 1,3-Dichloro-5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione is 300.01 g/mol.
Where can I buy 1,3-Dichloro-5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for 1,3-Dichloro-5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dichloro-5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dichloro-5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.