N',N'-bis(2-cyanoethyl)-N-octylbut-2-enediamide
TL;DR: N',N'-bis(2-cyanoethyl)-N-octylbut-2-enediamide (CAS 401609-79-8) is a chemical compound with molecular formula C18H28N4O2 and molecular weight 332.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N',N'-bis(2-cyanoethyl)-N-octylbut-2-enediamide
Also Known As: N',N'-bis(2-cyanoethyl)-N-octylbut-2-enediamide, N',N'-bis(2-cyanoethyl)-N-octyl-but-2-enediamide, N(1),N(1)-BIS(2-CYANOETHYL)-N(4)-OCTYL-2-BUTENEDIAMIDE
| Molecular Formula | C18H28N4O2 |
|---|---|
| Molecular Weight | 332.22 g/mol |
| LogP | 2.67526 |
| Topological Polar Surface Area | 96.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 332.22122 |
| Heavy Atoms | 24 |
| Complexity | 456.39087 |
Chemical Identifiers
| CAS Number | 401609-79-8 |
|---|---|
| SMILES | CCCCCCCCNC(=O)C=CC(=O)N(CCC#N)CCC#N |
Product Overview
N',N'-bis(2-cyanoethyl)-N-octylbut-2-enediamide (CAS 401609-79-8), with molecular formula C18H28N4O2 and molecular weight 332.22 g/mol. IUPAC: N',N'-bis(2-cyanoethyl)-N-octylbut-2-enediamide.
Chemical Property Profile of N',N'-bis(2-cyanoethyl)-N-octylbut-2-enediamide
Property Insights of N',N'-bis(2-cyanoethyl)-N-octylbut-2-enediamide
The XLogP value of 2.67526 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N',N'-bis(2-cyanoethyl)-N-octylbut-2-enediamide. The TPSA of 96.99 Ų falls within the moderate polarity range, balancing permeability and solubility for N',N'-bis(2-cyanoethyl)-N-octylbut-2-enediamide. Following Lipinski's Rule of Five, N',N'-bis(2-cyanoethyl)-N-octylbut-2-enediamide has 1 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 N',N'-bis(2-cyanoethyl)-N-octylbut-2-enediamide?
The CAS number of N',N'-bis(2-cyanoethyl)-N-octylbut-2-enediamide is 401609-79-8.
What is the molecular formula of N',N'-bis(2-cyanoethyl)-N-octylbut-2-enediamide?
The molecular formula of N',N'-bis(2-cyanoethyl)-N-octylbut-2-enediamide is C18H28N4O2.
What is the molecular weight of N',N'-bis(2-cyanoethyl)-N-octylbut-2-enediamide?
The molecular weight of N',N'-bis(2-cyanoethyl)-N-octylbut-2-enediamide is 332.22 g/mol.
Where can I buy N',N'-bis(2-cyanoethyl)-N-octylbut-2-enediamide?
You can request a quote for N',N'-bis(2-cyanoethyl)-N-octylbut-2-enediamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N',N'-bis(2-cyanoethyl)-N-octylbut-2-enediamide?
Yes, KEHONG BIO provides custom synthesis services for N',N'-bis(2-cyanoethyl)-N-octylbut-2-enediamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.