A3101/0131310
TL;DR: A3101/0131310 (CAS 577768-74-2) is a chemical compound with molecular formula C12H14F3N3O2 and molecular weight 289.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]-2,2-dimethylpropanamide
Also Known As: A3101/0131310, N-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]-2,2-dimethylpropanamide, N-(4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl)pivalamide, N-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]-2,2-dimethylpropanamide, N-(4-Cyano-5-methyl-2-oxo-3-trifluoromethyl-2,3-dihydro-1H-pyrrol-3-yl)-2,2-dimethyl-propionamide
| Molecular Formula | C12H14F3N3O2 |
|---|---|
| Molecular Weight | 289.10 g/mol |
| LogP | 1.37718 |
| Topological Polar Surface Area | 81.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 289.10382 |
| Heavy Atoms | 20 |
| Complexity | 537.62146 |
Chemical Identifiers
| CAS Number | 577768-74-2 |
|---|---|
| SMILES | CC1=C(C(C(=O)N1)(C(F)(F)F)NC(=O)C(C)(C)C)C#N |
Product Overview
A3101/0131310 (CAS 577768-74-2), with molecular formula C12H14F3N3O2 and molecular weight 289.10 g/mol. IUPAC: N-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]-2,2-dimethylpropanamide.
Chemical Property Profile of A3101/0131310
Property Insights of A3101/0131310
The XLogP value of 1.37718 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3101/0131310. The TPSA of 81.99 Ų falls within the moderate polarity range, balancing permeability and solubility for A3101/0131310. Following Lipinski's Rule of Five, A3101/0131310 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 A3101/0131310?
The CAS number of A3101/0131310 is 577768-74-2.
What is the molecular formula of A3101/0131310?
The molecular formula of A3101/0131310 is C12H14F3N3O2.
What is the molecular weight of A3101/0131310?
The molecular weight of A3101/0131310 is 289.10 g/mol.
Where can I buy A3101/0131310?
You can request a quote for A3101/0131310 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3101/0131310?
Yes, KEHONG BIO provides custom synthesis services for A3101/0131310 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.