N-(2-Bromophenyl)-3-methyl-2-butenamide
TL;DR: N-(2-Bromophenyl)-3-methyl-2-butenamide (CAS 102804-45-5) is a chemical compound with molecular formula C11H12BrNO and molecular weight 253.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-bromophenyl)-3-methylbut-2-enamide
Also Known As: N-(2-bromophenyl)-3-methylbut-2-enamide, N-(2-bromophenyl)-3-methyl-2-butenamide, SDCCGMLS-0020729.P002, SDCCGSBI-0660808.P001, But-2-enoic acid, amide, 3-methyl-N-(2-bromophenyl)-
| Molecular Formula | C11H12BrNO |
|---|---|
| Molecular Weight | 253.01 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.01022 |
| Heavy Atoms | 14 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 102804-45-5 |
|---|---|
| SMILES | CC(=CC(=O)NC1=CC=CC=C1Br)C |
| InChIKey | RORAFTPSKSULFB-UHFFFAOYSA-N |
Product Overview
N-(2-Bromophenyl)-3-methyl-2-butenamide (CAS 102804-45-5), with molecular formula C11H12BrNO and molecular weight 253.01 g/mol. IUPAC: N-(2-bromophenyl)-3-methylbut-2-enamide.
Chemical Property Profile of N-(2-Bromophenyl)-3-methyl-2-butenamide
Property Insights of N-(2-Bromophenyl)-3-methyl-2-butenamide
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-Bromophenyl)-3-methyl-2-butenamide. With a topological polar surface area (TPSA) of 29.1 Ų, N-(2-Bromophenyl)-3-methyl-2-butenamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-Bromophenyl)-3-methyl-2-butenamide has 1 hydrogen bond donor(s) and 1 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-(2-Bromophenyl)-3-methyl-2-butenamide?
The CAS number of N-(2-Bromophenyl)-3-methyl-2-butenamide is 102804-45-5.
What is the molecular formula of N-(2-Bromophenyl)-3-methyl-2-butenamide?
The molecular formula of N-(2-Bromophenyl)-3-methyl-2-butenamide is C11H12BrNO.
What is the molecular weight of N-(2-Bromophenyl)-3-methyl-2-butenamide?
The molecular weight of N-(2-Bromophenyl)-3-methyl-2-butenamide is 253.01 g/mol.
Where can I buy N-(2-Bromophenyl)-3-methyl-2-butenamide?
You can request a quote for N-(2-Bromophenyl)-3-methyl-2-butenamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Bromophenyl)-3-methyl-2-butenamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Bromophenyl)-3-methyl-2-butenamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.