2(1H)-Pyrimidinone, 4-(trichloromethyl)-
TL;DR: 2(1H)-Pyrimidinone, 4-(trichloromethyl)- (CAS 104048-91-1) is a chemical compound with molecular formula C5H3Cl3N2O and molecular weight 211.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(trichloromethyl)-1H-pyrimidin-2-one
Also Known As: 2(1H)-Pyrimidinone, 4-(trichloromethyl)-, 6-(trichloromethyl)-1H-pyrimidin-2-one, 2(1H)-Pyrimidinone, 6-(trichloromethyl)-, 6-(Trichloromethyl)pyrimidin-2(1H)-one, 4-(Trichloromethyl)pyrimidine-2(1H)-one
| Molecular Formula | C5H3Cl3N2O |
|---|---|
| Molecular Weight | 211.93 g/mol |
| LogP | 1.5966 |
| Topological Polar Surface Area | 45.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 211.93109 |
| Heavy Atoms | 11 |
| Complexity | 303.08612 |
Chemical Identifiers
| CAS Number | 104048-91-1 |
|---|---|
| SMILES | C1=C(NC(=O)N=C1)C(Cl)(Cl)Cl |
Product Overview
2(1H)-Pyrimidinone, 4-(trichloromethyl)- (CAS 104048-91-1), with molecular formula C5H3Cl3N2O and molecular weight 211.93 g/mol. IUPAC: 6-(trichloromethyl)-1H-pyrimidin-2-one.
Chemical Property Profile of 2(1H)-Pyrimidinone, 4-(trichloromethyl)-
Property Insights of 2(1H)-Pyrimidinone, 4-(trichloromethyl)-
The XLogP value of 1.5966 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(1H)-Pyrimidinone, 4-(trichloromethyl)-. With a topological polar surface area (TPSA) of 45.75 Ų, 2(1H)-Pyrimidinone, 4-(trichloromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(1H)-Pyrimidinone, 4-(trichloromethyl)- 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(1H)-Pyrimidinone, 4-(trichloromethyl)-?
The CAS number of 2(1H)-Pyrimidinone, 4-(trichloromethyl)- is 104048-91-1.
What is the molecular formula of 2(1H)-Pyrimidinone, 4-(trichloromethyl)-?
The molecular formula of 2(1H)-Pyrimidinone, 4-(trichloromethyl)- is C5H3Cl3N2O.
What is the molecular weight of 2(1H)-Pyrimidinone, 4-(trichloromethyl)-?
The molecular weight of 2(1H)-Pyrimidinone, 4-(trichloromethyl)- is 211.93 g/mol.
Where can I buy 2(1H)-Pyrimidinone, 4-(trichloromethyl)-?
You can request a quote for 2(1H)-Pyrimidinone, 4-(trichloromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2(1H)-Pyrimidinone, 4-(trichloromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2(1H)-Pyrimidinone, 4-(trichloromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.