A3782/0160531
TL;DR: A3782/0160531 (CAS 606924-72-5) is a chemical compound with molecular formula C13H11F3N4O and molecular weight 296.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4-[(4-methyl-2-pyridinyl)amino]-5-oxo-4-(trifluoromethyl)-1H-pyrrole-3-carbonitrile
Also Known As: A3782/0160531, 2-methyl-4-[(4-methylpyridin-2-yl)amino]-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carbonitrile, 1H-Pyrrole-3-carbonitrile, 2-methyl-4-(4-methylpyridin-2-ylamino)-5-oxo-4-trifluoromethyl-4,5-dihydro-, 2-methyl-4-((4-methylpyridin-2-yl)amino)-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carbonitrile, 2-Methyl-4-(4-methyl-pyridin-2-ylamino)-5-oxo-4-trifluoromethyl-4,5-dihydro-1H-pyrrole-3-carbonitrile
| Molecular Formula | C13H11F3N4O |
|---|---|
| Molecular Weight | 296.09 g/mol |
| LogP | 2.0304 |
| Topological Polar Surface Area | 77.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.0885 |
| Heavy Atoms | 21 |
| Complexity | 674.7293 |
Chemical Identifiers
| CAS Number | 606924-72-5 |
|---|---|
| SMILES | CC1=CC(=NC=C1)NC2(C(=C(NC2=O)C)C#N)C(F)(F)F |
Product Overview
A3782/0160531 (CAS 606924-72-5), with molecular formula C13H11F3N4O and molecular weight 296.09 g/mol. IUPAC: 2-methyl-4-[(4-methyl-2-pyridinyl)amino]-5-oxo-4-(trifluoromethyl)-1H-pyrrole-3-carbonitrile.
Chemical Property Profile of A3782/0160531
Property Insights of A3782/0160531
The XLogP value of 2.0304 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3782/0160531. The TPSA of 77.81 Ų falls within the moderate polarity range, balancing permeability and solubility for A3782/0160531. Following Lipinski's Rule of Five, A3782/0160531 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 A3782/0160531?
The CAS number of A3782/0160531 is 606924-72-5.
What is the molecular formula of A3782/0160531?
The molecular formula of A3782/0160531 is C13H11F3N4O.
What is the molecular weight of A3782/0160531?
The molecular weight of A3782/0160531 is 296.09 g/mol.
Where can I buy A3782/0160531?
You can request a quote for A3782/0160531 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3782/0160531?
Yes, KEHONG BIO provides custom synthesis services for A3782/0160531 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.