4-hydroxy-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carbonitrile
TL;DR: 4-hydroxy-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carbonitrile (CAS 695202-39-2) is a chemical compound with molecular formula C7H5F3N2O2 and molecular weight 206.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-2-methyl-5-oxo-4-(trifluoromethyl)-1H-pyrrole-3-carbonitrile
Also Known As: 4-hydroxy-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carbonitrile, AB01330611-02, 4-hydroxy-2-methyl-5-oxo-4-(trifluoromethyl)-1H-pyrrole-3-carbonitrile, A3330/0141409, 4-hydroxy-2-methyl-5-oxo-4-(trifluoromethyl)-2-pyrroline-3-carbonitrile
| Molecular Formula | C7H5F3N2O2 |
|---|---|
| Molecular Weight | 206.03 g/mol |
| LogP | 0.20718 |
| Topological Polar Surface Area | 73.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 206.03032 |
| Heavy Atoms | 14 |
| Complexity | 366.11163 |
Chemical Identifiers
| CAS Number | 695202-39-2 |
|---|---|
| SMILES | CC1=C(C(C(=O)N1)(C(F)(F)F)O)C#N |
Product Overview
4-hydroxy-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carbonitrile (CAS 695202-39-2), with molecular formula C7H5F3N2O2 and molecular weight 206.03 g/mol. IUPAC: 4-hydroxy-2-methyl-5-oxo-4-(trifluoromethyl)-1H-pyrrole-3-carbonitrile.
Chemical Property Profile of 4-hydroxy-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carbonitrile
Property Insights of 4-hydroxy-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carbonitrile
The XLogP value of 0.20718 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-hydroxy-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carbonitrile. The TPSA of 73.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-hydroxy-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carbonitrile. Following Lipinski's Rule of Five, 4-hydroxy-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carbonitrile 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 4-hydroxy-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carbonitrile?
The CAS number of 4-hydroxy-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carbonitrile is 695202-39-2.
What is the molecular formula of 4-hydroxy-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carbonitrile?
The molecular formula of 4-hydroxy-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carbonitrile is C7H5F3N2O2.
What is the molecular weight of 4-hydroxy-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carbonitrile?
The molecular weight of 4-hydroxy-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carbonitrile is 206.03 g/mol.
Where can I buy 4-hydroxy-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carbonitrile?
You can request a quote for 4-hydroxy-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-hydroxy-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-hydroxy-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.