3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-N-phenylpropanamide
TL;DR: 3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-N-phenylpropanamide (CAS 844-74-6) is a chemical compound with molecular formula C14H15N3O2S and molecular weight 289.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-N-phenylpropanamide
Also Known As: AB00788894-01, 3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-N-pheny, 3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-N-phenylpropanamide, 3-(4-methyl-6-oxo-2-sulfanylidene-3H-pyrimidin-5-yl)-N-phenyl-propanamide, 3-(6-Methyl-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl)-N-phenylpropanamide
| Molecular Formula | C14H15N3O2S |
|---|---|
| Molecular Weight | 289.09 g/mol |
| LogP | 2.31221 |
| Topological Polar Surface Area | 77.75 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.0885 |
| Heavy Atoms | 20 |
| Complexity | 719.18915 |
Chemical Identifiers
| CAS Number | 844-74-6 |
|---|---|
| SMILES | CC1=C(C(=O)NC(=S)N1)CCC(=O)NC2=CC=CC=C2 |
Product Overview
3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-N-phenylpropanamide (CAS 844-74-6), with molecular formula C14H15N3O2S and molecular weight 289.09 g/mol. IUPAC: 3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-N-phenylpropanamide.
Chemical Property Profile of 3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-N-phenylpropanamide
Property Insights of 3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-N-phenylpropanamide
The XLogP value of 2.31221 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-N-phenylpropanamide. The TPSA of 77.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-N-phenylpropanamide. Following Lipinski's Rule of Five, 3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-N-phenylpropanamide has 3 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 3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-N-phenylpropanamide?
The CAS number of 3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-N-phenylpropanamide is 844-74-6.
What is the molecular formula of 3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-N-phenylpropanamide?
The molecular formula of 3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-N-phenylpropanamide is C14H15N3O2S.
What is the molecular weight of 3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-N-phenylpropanamide?
The molecular weight of 3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-N-phenylpropanamide is 289.09 g/mol.
Where can I buy 3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-N-phenylpropanamide?
You can request a quote for 3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-N-phenylpropanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-N-phenylpropanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-N-phenylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.