2-Phenacyl-1,4,5,6-tetrahydropyrimidine
TL;DR: 2-Phenacyl-1,4,5,6-tetrahydropyrimidine (CAS 53354-72-6) is a chemical compound with molecular formula C12H14N2O and molecular weight 202.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)ethanone
Also Known As: 2-phenacyl-1,4,5,6-tetrahydropyrimidine, 1-phenyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)ethanone, 1-phenyl-2-(1,4,5,6-tetrahydro-pyrimidin-2-yl)-ethanone
| Molecular Formula | C12H14N2O |
|---|---|
| Molecular Weight | 202.11 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 202.11061 |
| Heavy Atoms | 15 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 53354-72-6 |
|---|---|
| SMILES | C1CNC(=NC1)CC(=O)C2=CC=CC=C2 |
| InChIKey | VFABMFSWEQWFAJ-UHFFFAOYSA-N |
Product Overview
2-Phenacyl-1,4,5,6-tetrahydropyrimidine (CAS 53354-72-6), with molecular formula C12H14N2O and molecular weight 202.11 g/mol. IUPAC: 1-phenyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)ethanone.
Chemical Property Profile of 2-Phenacyl-1,4,5,6-tetrahydropyrimidine
Property Insights of 2-Phenacyl-1,4,5,6-tetrahydropyrimidine
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenacyl-1,4,5,6-tetrahydropyrimidine. With a topological polar surface area (TPSA) of 41.5 Ų, 2-Phenacyl-1,4,5,6-tetrahydropyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenacyl-1,4,5,6-tetrahydropyrimidine 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 2-Phenacyl-1,4,5,6-tetrahydropyrimidine?
The CAS number of 2-Phenacyl-1,4,5,6-tetrahydropyrimidine is 53354-72-6.
What is the molecular formula of 2-Phenacyl-1,4,5,6-tetrahydropyrimidine?
The molecular formula of 2-Phenacyl-1,4,5,6-tetrahydropyrimidine is C12H14N2O.
What is the molecular weight of 2-Phenacyl-1,4,5,6-tetrahydropyrimidine?
The molecular weight of 2-Phenacyl-1,4,5,6-tetrahydropyrimidine is 202.11 g/mol.
Where can I buy 2-Phenacyl-1,4,5,6-tetrahydropyrimidine?
You can request a quote for 2-Phenacyl-1,4,5,6-tetrahydropyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenacyl-1,4,5,6-tetrahydropyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenacyl-1,4,5,6-tetrahydropyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.