N1-(2-cyanophenyl)-N2-isobutyloxalamide
TL;DR: N1-(2-cyanophenyl)-N2-isobutyloxalamide (CAS 898356-08-6) is a chemical compound with molecular formula C13H15N3O2 and molecular weight 245.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-(2-cyanophenyl)-N-(2-methylpropyl)oxamide
Also Known As: N1-(2-cyanophenyl)-N2-isobutyloxalamide, N'-(2-cyanophenyl)-N-(2-methylpropyl)oxamide, N'-(2-cyanophenyl)-N-(2-methylpropyl)ethanediamide, F2616-0364, 2-methyl-1-(N-o-cyanophenylcarbamoylcarbonylamino)propane
| Molecular Formula | C13H15N3O2 |
|---|---|
| Molecular Weight | 245.12 g/mol |
| LogP | 1.26898 |
| Topological Polar Surface Area | 81.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.11642 |
| Heavy Atoms | 18 |
| Complexity | 489.25488 |
Chemical Identifiers
| CAS Number | 898356-08-6 |
|---|---|
| SMILES | CC(C)CNC(=O)C(=O)NC1=CC=CC=C1C#N |
Product Overview
N1-(2-cyanophenyl)-N2-isobutyloxalamide (CAS 898356-08-6), with molecular formula C13H15N3O2 and molecular weight 245.12 g/mol. IUPAC: N'-(2-cyanophenyl)-N-(2-methylpropyl)oxamide.
Chemical Property Profile of N1-(2-cyanophenyl)-N2-isobutyloxalamide
Property Insights of N1-(2-cyanophenyl)-N2-isobutyloxalamide
The XLogP value of 1.26898 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N1-(2-cyanophenyl)-N2-isobutyloxalamide. The TPSA of 81.99 Ų falls within the moderate polarity range, balancing permeability and solubility for N1-(2-cyanophenyl)-N2-isobutyloxalamide. Following Lipinski's Rule of Five, N1-(2-cyanophenyl)-N2-isobutyloxalamide 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 N1-(2-cyanophenyl)-N2-isobutyloxalamide?
The CAS number of N1-(2-cyanophenyl)-N2-isobutyloxalamide is 898356-08-6.
What is the molecular formula of N1-(2-cyanophenyl)-N2-isobutyloxalamide?
The molecular formula of N1-(2-cyanophenyl)-N2-isobutyloxalamide is C13H15N3O2.
What is the molecular weight of N1-(2-cyanophenyl)-N2-isobutyloxalamide?
The molecular weight of N1-(2-cyanophenyl)-N2-isobutyloxalamide is 245.12 g/mol.
Where can I buy N1-(2-cyanophenyl)-N2-isobutyloxalamide?
You can request a quote for N1-(2-cyanophenyl)-N2-isobutyloxalamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N1-(2-cyanophenyl)-N2-isobutyloxalamide?
Yes, KEHONG BIO provides custom synthesis services for N1-(2-cyanophenyl)-N2-isobutyloxalamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.