5-Acetyl-4-(1,3-benzodioxol-5-yl)-6-methyl-3,4-dihydro-2(1H)-pyrimidinone
TL;DR: 5-Acetyl-4-(1,3-benzodioxol-5-yl)-6-methyl-3,4-dihydro-2(1H)-pyrimidinone (CAS 292853-56-6) is a chemical compound with molecular formula C14H14N2O4 and molecular weight 274.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-4-(1,3-benzodioxol-5-yl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
Also Known As: ML284 Analog, BAS 07529549, J2.159.976J, A1212/0055871, 5-acetyl-4-(1,3-benzodioxol-5-yl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
| Molecular Formula | C14H14N2O4 |
|---|---|
| Molecular Weight | 274.10 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.09537 |
| Heavy Atoms | 20 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 292853-56-6 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1)C2=CC3=C(C=C2)OCO3)C(=O)C |
| InChIKey | XROHLXAEBBVVTR-UHFFFAOYSA-N |
Product Overview
5-Acetyl-4-(1,3-benzodioxol-5-yl)-6-methyl-3,4-dihydro-2(1H)-pyrimidinone (CAS 292853-56-6), with molecular formula C14H14N2O4 and molecular weight 274.10 g/mol. IUPAC: 5-acetyl-4-(1,3-benzodioxol-5-yl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one.
Chemical Property Profile of 5-Acetyl-4-(1,3-benzodioxol-5-yl)-6-methyl-3,4-dihydro-2(1H)-pyrimidinone
Property Insights of 5-Acetyl-4-(1,3-benzodioxol-5-yl)-6-methyl-3,4-dihydro-2(1H)-pyrimidinone
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Acetyl-4-(1,3-benzodioxol-5-yl)-6-methyl-3,4-dihydro-2(1H)-pyrimidinone. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Acetyl-4-(1,3-benzodioxol-5-yl)-6-methyl-3,4-dihydro-2(1H)-pyrimidinone. Following Lipinski's Rule of Five, 5-Acetyl-4-(1,3-benzodioxol-5-yl)-6-methyl-3,4-dihydro-2(1H)-pyrimidinone has 2 hydrogen bond donor(s) and 4 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-Acetyl-4-(1,3-benzodioxol-5-yl)-6-methyl-3,4-dihydro-2(1H)-pyrimidinone?
The CAS number of 5-Acetyl-4-(1,3-benzodioxol-5-yl)-6-methyl-3,4-dihydro-2(1H)-pyrimidinone is 292853-56-6.
What is the molecular formula of 5-Acetyl-4-(1,3-benzodioxol-5-yl)-6-methyl-3,4-dihydro-2(1H)-pyrimidinone?
The molecular formula of 5-Acetyl-4-(1,3-benzodioxol-5-yl)-6-methyl-3,4-dihydro-2(1H)-pyrimidinone is C14H14N2O4.
What is the molecular weight of 5-Acetyl-4-(1,3-benzodioxol-5-yl)-6-methyl-3,4-dihydro-2(1H)-pyrimidinone?
The molecular weight of 5-Acetyl-4-(1,3-benzodioxol-5-yl)-6-methyl-3,4-dihydro-2(1H)-pyrimidinone is 274.10 g/mol.
Where can I buy 5-Acetyl-4-(1,3-benzodioxol-5-yl)-6-methyl-3,4-dihydro-2(1H)-pyrimidinone?
You can request a quote for 5-Acetyl-4-(1,3-benzodioxol-5-yl)-6-methyl-3,4-dihydro-2(1H)-pyrimidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Acetyl-4-(1,3-benzodioxol-5-yl)-6-methyl-3,4-dihydro-2(1H)-pyrimidinone?
Yes, KEHONG BIO provides custom synthesis services for 5-Acetyl-4-(1,3-benzodioxol-5-yl)-6-methyl-3,4-dihydro-2(1H)-pyrimidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.