![3-{[6-oxo-1-phenyl-4-(trifluoromethyl)-1,6-dihydro-2-pyrimidinyl]sulfanyl}propanoic acid structure](/static/products/6922/692287-41-5.webp)
3-{[6-oxo-1-phenyl-4-(trifluoromethyl)-1,6-dihydro-2-pyrimidinyl]sulfanyl}propanoic acid
TL;DR: 3-{[6-oxo-1-phenyl-4-(trifluoromethyl)-1,6-dihydro-2-pyrimidinyl]sulfanyl}propanoic acid (CAS 692287-41-5) is a chemical compound with molecular formula C14H11F3N2O3S and molecular weight 344.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[6-oxo-1-phenyl-4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoic acid
Also Known As: 3-{[6-oxo-1-phenyl-4-(trifluoromethyl)-1,6-dihydro-2-pyrimidinyl]sulfanyl}propanoic acid, 3-[6-oxo-1-phenyl-4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoic acid, 3-{[6-oxo-1-phenyl-4-(trifluoromethyl)-1,6-dihydropyrimidin-2-yl]sulfanyl}propanoic acid, 3-{[6-oxo-1-phenyl-4-(trifluoromethyl)-1,6-dihydropyrimidin-2-yl]sulfanyl}propanoicacid
| Molecular Formula | C14H11F3N2O3S |
|---|---|
| Molecular Weight | 344.04 g/mol |
| LogP | 2.8181 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 344.04425 |
| Heavy Atoms | 23 |
| Complexity | 760.0982 |
Chemical Identifiers
| CAS Number | 692287-41-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C=C(N=C2SCCC(=O)O)C(F)(F)F |
Product Overview
3-{[6-oxo-1-phenyl-4-(trifluoromethyl)-1,6-dihydro-2-pyrimidinyl]sulfanyl}propanoic acid (CAS 692287-41-5), with molecular formula C14H11F3N2O3S and molecular weight 344.04 g/mol. IUPAC: 3-[6-oxo-1-phenyl-4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoic acid.
Chemical Property Profile of 3-{[6-oxo-1-phenyl-4-(trifluoromethyl)-1,6-dihydro-2-pyrimidinyl]sulfanyl}propanoic acid
Property Insights of 3-{[6-oxo-1-phenyl-4-(trifluoromethyl)-1,6-dihydro-2-pyrimidinyl]sulfanyl}propanoic acid
The XLogP value of 2.8181 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[6-oxo-1-phenyl-4-(trifluoromethyl)-1,6-dihydro-2-pyrimidinyl]sulfanyl}propanoic acid. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[6-oxo-1-phenyl-4-(trifluoromethyl)-1,6-dihydro-2-pyrimidinyl]sulfanyl}propanoic acid. Following Lipinski's Rule of Five, 3-{[6-oxo-1-phenyl-4-(trifluoromethyl)-1,6-dihydro-2-pyrimidinyl]sulfanyl}propanoic acid has 1 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 3-{[6-oxo-1-phenyl-4-(trifluoromethyl)-1,6-dihydro-2-pyrimidinyl]sulfanyl}propanoic acid?
The CAS number of 3-{[6-oxo-1-phenyl-4-(trifluoromethyl)-1,6-dihydro-2-pyrimidinyl]sulfanyl}propanoic acid is 692287-41-5.
What is the molecular formula of 3-{[6-oxo-1-phenyl-4-(trifluoromethyl)-1,6-dihydro-2-pyrimidinyl]sulfanyl}propanoic acid?
The molecular formula of 3-{[6-oxo-1-phenyl-4-(trifluoromethyl)-1,6-dihydro-2-pyrimidinyl]sulfanyl}propanoic acid is C14H11F3N2O3S.
What is the molecular weight of 3-{[6-oxo-1-phenyl-4-(trifluoromethyl)-1,6-dihydro-2-pyrimidinyl]sulfanyl}propanoic acid?
The molecular weight of 3-{[6-oxo-1-phenyl-4-(trifluoromethyl)-1,6-dihydro-2-pyrimidinyl]sulfanyl}propanoic acid is 344.04 g/mol.
Where can I buy 3-{[6-oxo-1-phenyl-4-(trifluoromethyl)-1,6-dihydro-2-pyrimidinyl]sulfanyl}propanoic acid?
You can request a quote for 3-{[6-oxo-1-phenyl-4-(trifluoromethyl)-1,6-dihydro-2-pyrimidinyl]sulfanyl}propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[6-oxo-1-phenyl-4-(trifluoromethyl)-1,6-dihydro-2-pyrimidinyl]sulfanyl}propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[6-oxo-1-phenyl-4-(trifluoromethyl)-1,6-dihydro-2-pyrimidinyl]sulfanyl}propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.