A3101/0131314
TL;DR: A3101/0131314 (CAS 573669-67-7) is a chemical compound with molecular formula C15H12F3N3O3 and molecular weight 339.08 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]-4-methoxybenzamide
Also Known As: A3101/0131314, N-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]-4-methoxybenzamide, N-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]-4-methoxybenzamide, N-(4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl)-4-methoxybenzamide
| Molecular Formula | C15H12F3N3O3 |
|---|---|
| Molecular Weight | 339.08 g/mol |
| LogP | 1.65348 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.08307 |
| Heavy Atoms | 24 |
| Complexity | 762.8995 |
Chemical Identifiers
| CAS Number | 573669-67-7 |
|---|---|
| SMILES | CC1=C(C(C(=O)N1)(C(F)(F)F)NC(=O)C2=CC=C(C=C2)OC)C#N |
Product Overview
A3101/0131314 (CAS 573669-67-7), with molecular formula C15H12F3N3O3 and molecular weight 339.08 g/mol. IUPAC: N-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]-4-methoxybenzamide.
Chemical Property Profile of A3101/0131314
Property Insights of A3101/0131314
The XLogP value of 1.65348 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3101/0131314. The TPSA of 91.22 Ų falls within the moderate polarity range, balancing permeability and solubility for A3101/0131314. Following Lipinski's Rule of Five, A3101/0131314 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 A3101/0131314?
The CAS number of A3101/0131314 is 573669-67-7.
What is the molecular formula of A3101/0131314?
The molecular formula of A3101/0131314 is C15H12F3N3O3.
What is the molecular weight of A3101/0131314?
The molecular weight of A3101/0131314 is 339.08 g/mol.
Where can I buy A3101/0131314?
You can request a quote for A3101/0131314 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3101/0131314?
Yes, KEHONG BIO provides custom synthesis services for A3101/0131314 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.