2-(4-bromophenyl)-N,N-bis(2-cyanoethyl)acetamide
TL;DR: 2-(4-bromophenyl)-N,N-bis(2-cyanoethyl)acetamide (CAS 701933-49-5) is a chemical compound with molecular formula C14H14BrN3O and molecular weight 319.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromophenyl)-N,N-bis(2-cyanoethyl)acetamide
Also Known As: 2-(4-bromophenyl)-N,N-bis(2-cyanoethyl)acetamide
| Molecular Formula | C14H14BrN3O |
|---|---|
| Molecular Weight | 319.03 g/mol |
| LogP | 2.64756 |
| Topological Polar Surface Area | 67.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 319.032 |
| Heavy Atoms | 19 |
| Complexity | 480.90775 |
Chemical Identifiers
| CAS Number | 701933-49-5 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(=O)N(CCC#N)CCC#N)Br |
Product Overview
2-(4-bromophenyl)-N,N-bis(2-cyanoethyl)acetamide (CAS 701933-49-5), with molecular formula C14H14BrN3O and molecular weight 319.03 g/mol. IUPAC: 2-(4-bromophenyl)-N,N-bis(2-cyanoethyl)acetamide.
Chemical Property Profile of 2-(4-bromophenyl)-N,N-bis(2-cyanoethyl)acetamide
Property Insights of 2-(4-bromophenyl)-N,N-bis(2-cyanoethyl)acetamide
The XLogP value of 2.64756 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-bromophenyl)-N,N-bis(2-cyanoethyl)acetamide. The TPSA of 67.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-bromophenyl)-N,N-bis(2-cyanoethyl)acetamide. Following Lipinski's Rule of Five, 2-(4-bromophenyl)-N,N-bis(2-cyanoethyl)acetamide has 0 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 2-(4-bromophenyl)-N,N-bis(2-cyanoethyl)acetamide?
The CAS number of 2-(4-bromophenyl)-N,N-bis(2-cyanoethyl)acetamide is 701933-49-5.
What is the molecular formula of 2-(4-bromophenyl)-N,N-bis(2-cyanoethyl)acetamide?
The molecular formula of 2-(4-bromophenyl)-N,N-bis(2-cyanoethyl)acetamide is C14H14BrN3O.
What is the molecular weight of 2-(4-bromophenyl)-N,N-bis(2-cyanoethyl)acetamide?
The molecular weight of 2-(4-bromophenyl)-N,N-bis(2-cyanoethyl)acetamide is 319.03 g/mol.
Where can I buy 2-(4-bromophenyl)-N,N-bis(2-cyanoethyl)acetamide?
You can request a quote for 2-(4-bromophenyl)-N,N-bis(2-cyanoethyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-bromophenyl)-N,N-bis(2-cyanoethyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-bromophenyl)-N,N-bis(2-cyanoethyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.