![5-[3-(2-chlorophenyl)-3-oxoprop-1-ynyl]-1H-pyrimidine-2,4-dione structure](/static/products/6859/68595-19-7.webp)
5-[3-(2-chlorophenyl)-3-oxoprop-1-ynyl]-1H-pyrimidine-2,4-dione
TL;DR: 5-[3-(2-chlorophenyl)-3-oxoprop-1-ynyl]-1H-pyrimidine-2,4-dione (CAS 68595-19-7) is a chemical compound with molecular formula C13H7ClN2O3 and molecular weight 274.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-(2-chlorophenyl)-3-oxoprop-1-ynyl]-1H-pyrimidine-2,4-dione
Also Known As: NCI60_005791, 5-[3-(2-chlorophenyl)-3-oxoprop-1-ynyl]-1H-pyrimidine-2,4-dione, 5-oxo-1-tosyl-2,3,4,5-tetrahydro-1H-benzo[b]azepin, 5-[3-Oxo-3-(2-chlorophenyl)-1-propynyl]pyrimidine-2,4(1H,3H)-dione, 1-(2-chlorophenyl)-3-(2,4-dihydroxypyrimidin-5-yl)prop-2-yn-1-one
| Molecular Formula | C13H7ClN2O3 |
|---|---|
| Molecular Weight | 274.01 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.01453 |
| Heavy Atoms | 19 |
| Complexity | 526.0 |
Chemical Identifiers
| CAS Number | 68595-19-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)C#CC2=CNC(=O)NC2=O)Cl |
| InChIKey | GZMIRCXQHWFEGW-UHFFFAOYSA-N |
Product Overview
5-[3-(2-chlorophenyl)-3-oxoprop-1-ynyl]-1H-pyrimidine-2,4-dione (CAS 68595-19-7), with molecular formula C13H7ClN2O3 and molecular weight 274.01 g/mol. IUPAC: 5-[3-(2-chlorophenyl)-3-oxoprop-1-ynyl]-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 5-[3-(2-chlorophenyl)-3-oxoprop-1-ynyl]-1H-pyrimidine-2,4-dione
Property Insights of 5-[3-(2-chlorophenyl)-3-oxoprop-1-ynyl]-1H-pyrimidine-2,4-dione
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[3-(2-chlorophenyl)-3-oxoprop-1-ynyl]-1H-pyrimidine-2,4-dione. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[3-(2-chlorophenyl)-3-oxoprop-1-ynyl]-1H-pyrimidine-2,4-dione. Following Lipinski's Rule of Five, 5-[3-(2-chlorophenyl)-3-oxoprop-1-ynyl]-1H-pyrimidine-2,4-dione has 2 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-[3-(2-chlorophenyl)-3-oxoprop-1-ynyl]-1H-pyrimidine-2,4-dione?
The CAS number of 5-[3-(2-chlorophenyl)-3-oxoprop-1-ynyl]-1H-pyrimidine-2,4-dione is 68595-19-7.
What is the molecular formula of 5-[3-(2-chlorophenyl)-3-oxoprop-1-ynyl]-1H-pyrimidine-2,4-dione?
The molecular formula of 5-[3-(2-chlorophenyl)-3-oxoprop-1-ynyl]-1H-pyrimidine-2,4-dione is C13H7ClN2O3.
What is the molecular weight of 5-[3-(2-chlorophenyl)-3-oxoprop-1-ynyl]-1H-pyrimidine-2,4-dione?
The molecular weight of 5-[3-(2-chlorophenyl)-3-oxoprop-1-ynyl]-1H-pyrimidine-2,4-dione is 274.01 g/mol.
Where can I buy 5-[3-(2-chlorophenyl)-3-oxoprop-1-ynyl]-1H-pyrimidine-2,4-dione?
You can request a quote for 5-[3-(2-chlorophenyl)-3-oxoprop-1-ynyl]-1H-pyrimidine-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[3-(2-chlorophenyl)-3-oxoprop-1-ynyl]-1H-pyrimidine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-[3-(2-chlorophenyl)-3-oxoprop-1-ynyl]-1H-pyrimidine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.