5-benzoyl-1,3,6-trimethyl-2,4(1H,3H)-Pyrimidinedione
TL;DR: 5-benzoyl-1,3,6-trimethyl-2,4(1H,3H)-Pyrimidinedione (CAS 444058-30-4) is a chemical compound with molecular formula C14H14N2O3 and molecular weight 258.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzoyl-1,3,6-trimethylpyrimidine-2,4-dione
Also Known As: 5-benzoyl-1,3,6-trimethyl-2,4(1H,3H)-Pyrimidinedione, 5-benzoyl-1,3,6-trimethylpyrimidine-2,4-dione, 5-Benzoyl-1,3,6-trimethylpyrimidine-2,4(1H,3H)-dione, BAS 04212482, 2,4(1H,3H)-Pyrimidinedione, 5-benzoyl-1,3,6-trimethyl-
| Molecular Formula | C14H14N2O3 |
|---|---|
| Molecular Weight | 258.10 g/mol |
| LogP | 0.62342 |
| Topological Polar Surface Area | 61.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.10043 |
| Heavy Atoms | 19 |
| Complexity | 754.741 |
Chemical Identifiers
| CAS Number | 444058-30-4 |
|---|---|
| SMILES | CC1=C(C(=O)N(C(=O)N1C)C)C(=O)C2=CC=CC=C2 |
Product Overview
5-benzoyl-1,3,6-trimethyl-2,4(1H,3H)-Pyrimidinedione (CAS 444058-30-4), with molecular formula C14H14N2O3 and molecular weight 258.10 g/mol. IUPAC: 5-benzoyl-1,3,6-trimethylpyrimidine-2,4-dione.
Chemical Property Profile of 5-benzoyl-1,3,6-trimethyl-2,4(1H,3H)-Pyrimidinedione
Property Insights of 5-benzoyl-1,3,6-trimethyl-2,4(1H,3H)-Pyrimidinedione
The XLogP value of 0.62342 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-benzoyl-1,3,6-trimethyl-2,4(1H,3H)-Pyrimidinedione. The TPSA of 61.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-benzoyl-1,3,6-trimethyl-2,4(1H,3H)-Pyrimidinedione. Following Lipinski's Rule of Five, 5-benzoyl-1,3,6-trimethyl-2,4(1H,3H)-Pyrimidinedione 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 5-benzoyl-1,3,6-trimethyl-2,4(1H,3H)-Pyrimidinedione?
The CAS number of 5-benzoyl-1,3,6-trimethyl-2,4(1H,3H)-Pyrimidinedione is 444058-30-4.
What is the molecular formula of 5-benzoyl-1,3,6-trimethyl-2,4(1H,3H)-Pyrimidinedione?
The molecular formula of 5-benzoyl-1,3,6-trimethyl-2,4(1H,3H)-Pyrimidinedione is C14H14N2O3.
What is the molecular weight of 5-benzoyl-1,3,6-trimethyl-2,4(1H,3H)-Pyrimidinedione?
The molecular weight of 5-benzoyl-1,3,6-trimethyl-2,4(1H,3H)-Pyrimidinedione is 258.10 g/mol.
Where can I buy 5-benzoyl-1,3,6-trimethyl-2,4(1H,3H)-Pyrimidinedione?
You can request a quote for 5-benzoyl-1,3,6-trimethyl-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 5-benzoyl-1,3,6-trimethyl-2,4(1H,3H)-Pyrimidinedione?
Yes, KEHONG BIO provides custom synthesis services for 5-benzoyl-1,3,6-trimethyl-2,4(1H,3H)-Pyrimidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.