1-(4-chloro-2-fluorophenyl)-3-methyl-2,4(1H,3H)-pyrimidinedione
TL;DR: 1-(4-chloro-2-fluorophenyl)-3-methyl-2,4(1H,3H)-pyrimidinedione (CAS 445220-07-5) is a chemical compound with molecular formula C11H8ClFN2O2 and molecular weight 254.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chloro-2-fluorophenyl)-3-methylpyrimidine-2,4-dione
Also Known As: 1-(4-chloro-2-fluorophenyl)-3-methyl-2,4(1H,3H)-pyrimidinedione, 1-(4-chloro-2-fluorophenyl)-3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
| Molecular Formula | C11H8ClFN2O2 |
|---|---|
| Molecular Weight | 254.03 g/mol |
| LogP | 1.3287 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 254.02583 |
| Heavy Atoms | 17 |
| Complexity | 690.60126 |
Chemical Identifiers
| CAS Number | 445220-07-5 |
|---|---|
| SMILES | CN1C(=O)C=CN(C1=O)C2=C(C=C(C=C2)Cl)F |
Product Overview
1-(4-chloro-2-fluorophenyl)-3-methyl-2,4(1H,3H)-pyrimidinedione (CAS 445220-07-5), with molecular formula C11H8ClFN2O2 and molecular weight 254.03 g/mol. IUPAC: 1-(4-chloro-2-fluorophenyl)-3-methylpyrimidine-2,4-dione.
Chemical Property Profile of 1-(4-chloro-2-fluorophenyl)-3-methyl-2,4(1H,3H)-pyrimidinedione
Property Insights of 1-(4-chloro-2-fluorophenyl)-3-methyl-2,4(1H,3H)-pyrimidinedione
The XLogP value of 1.3287 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-chloro-2-fluorophenyl)-3-methyl-2,4(1H,3H)-pyrimidinedione. With a topological polar surface area (TPSA) of 44.0 Ų, 1-(4-chloro-2-fluorophenyl)-3-methyl-2,4(1H,3H)-pyrimidinedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-chloro-2-fluorophenyl)-3-methyl-2,4(1H,3H)-pyrimidinedione 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-(4-chloro-2-fluorophenyl)-3-methyl-2,4(1H,3H)-pyrimidinedione?
The CAS number of 1-(4-chloro-2-fluorophenyl)-3-methyl-2,4(1H,3H)-pyrimidinedione is 445220-07-5.
What is the molecular formula of 1-(4-chloro-2-fluorophenyl)-3-methyl-2,4(1H,3H)-pyrimidinedione?
The molecular formula of 1-(4-chloro-2-fluorophenyl)-3-methyl-2,4(1H,3H)-pyrimidinedione is C11H8ClFN2O2.
What is the molecular weight of 1-(4-chloro-2-fluorophenyl)-3-methyl-2,4(1H,3H)-pyrimidinedione?
The molecular weight of 1-(4-chloro-2-fluorophenyl)-3-methyl-2,4(1H,3H)-pyrimidinedione is 254.03 g/mol.
Where can I buy 1-(4-chloro-2-fluorophenyl)-3-methyl-2,4(1H,3H)-pyrimidinedione?
You can request a quote for 1-(4-chloro-2-fluorophenyl)-3-methyl-2,4(1H,3H)-pyrimidinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-chloro-2-fluorophenyl)-3-methyl-2,4(1H,3H)-pyrimidinedione?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-chloro-2-fluorophenyl)-3-methyl-2,4(1H,3H)-pyrimidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.