3-(3-bromoanilino)-N-butyryl-2-cyanoacrylamide
TL;DR: 3-(3-bromoanilino)-N-butyryl-2-cyanoacrylamide (CAS 353278-38-3) is a chemical compound with molecular formula C14H14BrN3O2 and molecular weight 335.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3-bromoanilino)-N-butanoyl-2-cyanoprop-2-enamide
Also Known As: 3-(3-bromoanilino)-N-butyryl-2-cyanoacrylamide, AJ-030/12105254, (E)-3-(3-bromoanilino)-N-butanoyl-2-cyanoprop-2-enamide, (E)-N-(3-((3-Bromophenyl)amino)-2-cyanoacryloyl)butyramide
| Molecular Formula | C14H14BrN3O2 |
|---|---|
| Molecular Weight | 335.03 g/mol |
| LogP | 2.71138 |
| Topological Polar Surface Area | 81.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.02695 |
| Heavy Atoms | 20 |
| Complexity | 576.0269 |
Chemical Identifiers
| CAS Number | 353278-38-3 |
|---|---|
| SMILES | CCCC(=O)NC(=O)/C(=C/NC1=CC(=CC=C1)Br)/C#N |
Product Overview
3-(3-bromoanilino)-N-butyryl-2-cyanoacrylamide (CAS 353278-38-3), with molecular formula C14H14BrN3O2 and molecular weight 335.03 g/mol. IUPAC: (E)-3-(3-bromoanilino)-N-butanoyl-2-cyanoprop-2-enamide.
Chemical Property Profile of 3-(3-bromoanilino)-N-butyryl-2-cyanoacrylamide
Property Insights of 3-(3-bromoanilino)-N-butyryl-2-cyanoacrylamide
The XLogP value of 2.71138 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-bromoanilino)-N-butyryl-2-cyanoacrylamide. The TPSA of 81.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-bromoanilino)-N-butyryl-2-cyanoacrylamide. Following Lipinski's Rule of Five, 3-(3-bromoanilino)-N-butyryl-2-cyanoacrylamide 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 3-(3-bromoanilino)-N-butyryl-2-cyanoacrylamide?
The CAS number of 3-(3-bromoanilino)-N-butyryl-2-cyanoacrylamide is 353278-38-3.
What is the molecular formula of 3-(3-bromoanilino)-N-butyryl-2-cyanoacrylamide?
The molecular formula of 3-(3-bromoanilino)-N-butyryl-2-cyanoacrylamide is C14H14BrN3O2.
What is the molecular weight of 3-(3-bromoanilino)-N-butyryl-2-cyanoacrylamide?
The molecular weight of 3-(3-bromoanilino)-N-butyryl-2-cyanoacrylamide is 335.03 g/mol.
Where can I buy 3-(3-bromoanilino)-N-butyryl-2-cyanoacrylamide?
You can request a quote for 3-(3-bromoanilino)-N-butyryl-2-cyanoacrylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-bromoanilino)-N-butyryl-2-cyanoacrylamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-bromoanilino)-N-butyryl-2-cyanoacrylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.