3-(4-chlorophenyl)-6-methyl-2,4(1H,3H)-pyrimidinedione
TL;DR: 3-(4-chlorophenyl)-6-methyl-2,4(1H,3H)-pyrimidinedione (CAS 71814-49-8) is a chemical compound with molecular formula C11H9ClN2O2 and molecular weight 236.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-6-methyl-1H-pyrimidine-2,4-dione
Also Known As: 3-(4-chlorophenyl)-6-methyl-2,4(1H,3H)-pyrimidinedione, 3-(4-chlorophenyl)-6-methyl-1H-pyrimidine-2,4-dione, 3-(4-chlorophenyl)-6-methylpyrimidine-2,4(1H,3H)-dione, 3-(4-chlorophenyl)-6-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione, 2,4(1H,3H)-Pyrimidinedione, 3-(4-chlorophenyl)-6-methyl-
| Molecular Formula | C11H9ClN2O2 |
|---|---|
| Molecular Weight | 236.04 g/mol |
| LogP | 1.48762 |
| Topological Polar Surface Area | 54.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.03525 |
| Heavy Atoms | 16 |
| Complexity | 594.4182 |
Chemical Identifiers
| CAS Number | 71814-49-8 |
|---|---|
| SMILES | CC1=CC(=O)N(C(=O)N1)C2=CC=C(C=C2)Cl |
Product Overview
3-(4-chlorophenyl)-6-methyl-2,4(1H,3H)-pyrimidinedione (CAS 71814-49-8), with molecular formula C11H9ClN2O2 and molecular weight 236.04 g/mol. IUPAC: 3-(4-chlorophenyl)-6-methyl-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 3-(4-chlorophenyl)-6-methyl-2,4(1H,3H)-pyrimidinedione
Property Insights of 3-(4-chlorophenyl)-6-methyl-2,4(1H,3H)-pyrimidinedione
The XLogP value of 1.48762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-chlorophenyl)-6-methyl-2,4(1H,3H)-pyrimidinedione. With a topological polar surface area (TPSA) of 54.86 Ų, 3-(4-chlorophenyl)-6-methyl-2,4(1H,3H)-pyrimidinedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-chlorophenyl)-6-methyl-2,4(1H,3H)-pyrimidinedione 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 3-(4-chlorophenyl)-6-methyl-2,4(1H,3H)-pyrimidinedione?
The CAS number of 3-(4-chlorophenyl)-6-methyl-2,4(1H,3H)-pyrimidinedione is 71814-49-8.
What is the molecular formula of 3-(4-chlorophenyl)-6-methyl-2,4(1H,3H)-pyrimidinedione?
The molecular formula of 3-(4-chlorophenyl)-6-methyl-2,4(1H,3H)-pyrimidinedione is C11H9ClN2O2.
What is the molecular weight of 3-(4-chlorophenyl)-6-methyl-2,4(1H,3H)-pyrimidinedione?
The molecular weight of 3-(4-chlorophenyl)-6-methyl-2,4(1H,3H)-pyrimidinedione is 236.04 g/mol.
Where can I buy 3-(4-chlorophenyl)-6-methyl-2,4(1H,3H)-pyrimidinedione?
You can request a quote for 3-(4-chlorophenyl)-6-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 3-(4-chlorophenyl)-6-methyl-2,4(1H,3H)-pyrimidinedione?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-chlorophenyl)-6-methyl-2,4(1H,3H)-pyrimidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.