N-acetyl-3-(3-bromoanilino)-2-cyanoprop-2-enamide
TL;DR: N-acetyl-3-(3-bromoanilino)-2-cyanoprop-2-enamide (CAS 353277-85-7) is a chemical compound with molecular formula C12H10BrN3O2 and molecular weight 307.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-acetyl-3-(3-bromoanilino)-2-cyanoprop-2-enamide
Also Known As: N-acetyl-3-(3-bromoanilino)-2-cyanoacrylamide, N-acetyl-3-(3-bromoanilino)-2-cyanoprop-2-enamide
| Molecular Formula | C12H10BrN3O2 |
|---|---|
| Molecular Weight | 307.00 g/mol |
| LogP | 1.93118 |
| Topological Polar Surface Area | 81.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.99564 |
| Heavy Atoms | 18 |
| Complexity | 546.49866 |
Chemical Identifiers
| CAS Number | 353277-85-7 |
|---|---|
| SMILES | CC(=O)NC(=O)C(=CNC1=CC(=CC=C1)Br)C#N |
Product Overview
N-acetyl-3-(3-bromoanilino)-2-cyanoprop-2-enamide (CAS 353277-85-7), with molecular formula C12H10BrN3O2 and molecular weight 307.00 g/mol. IUPAC: N-acetyl-3-(3-bromoanilino)-2-cyanoprop-2-enamide.
Chemical Property Profile of N-acetyl-3-(3-bromoanilino)-2-cyanoprop-2-enamide
Property Insights of N-acetyl-3-(3-bromoanilino)-2-cyanoprop-2-enamide
The XLogP value of 1.93118 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-acetyl-3-(3-bromoanilino)-2-cyanoprop-2-enamide. The TPSA of 81.99 Ų falls within the moderate polarity range, balancing permeability and solubility for N-acetyl-3-(3-bromoanilino)-2-cyanoprop-2-enamide. Following Lipinski's Rule of Five, N-acetyl-3-(3-bromoanilino)-2-cyanoprop-2-enamide 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 N-acetyl-3-(3-bromoanilino)-2-cyanoprop-2-enamide?
The CAS number of N-acetyl-3-(3-bromoanilino)-2-cyanoprop-2-enamide is 353277-85-7.
What is the molecular formula of N-acetyl-3-(3-bromoanilino)-2-cyanoprop-2-enamide?
The molecular formula of N-acetyl-3-(3-bromoanilino)-2-cyanoprop-2-enamide is C12H10BrN3O2.
What is the molecular weight of N-acetyl-3-(3-bromoanilino)-2-cyanoprop-2-enamide?
The molecular weight of N-acetyl-3-(3-bromoanilino)-2-cyanoprop-2-enamide is 307.00 g/mol.
Where can I buy N-acetyl-3-(3-bromoanilino)-2-cyanoprop-2-enamide?
You can request a quote for N-acetyl-3-(3-bromoanilino)-2-cyanoprop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-acetyl-3-(3-bromoanilino)-2-cyanoprop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for N-acetyl-3-(3-bromoanilino)-2-cyanoprop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.