2-Butenamide, N-(4-bromophenyl)-3-methyl-
TL;DR: 2-Butenamide, N-(4-bromophenyl)-3-methyl- (CAS 135631-89-9) 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-(4-bromophenyl)-3-methylbut-2-enamide
Also Known As: 2-Butenamide, N-(4-bromophenyl)-3-methyl-, N-(4-bromophenyl)-3-methylbut-2-enamide, N-(4-bromophenyl)-3-methyl-2-butenamide, N-(4-Bromophenyl)-3,3-dimethylacrylamide, N-(4-bromophenyl)3,3dimethylacrylamide
| Molecular Formula | C11H12BrNO |
|---|---|
| Molecular Weight | 253.01 g/mol |
| LogP | 3.7 |
| 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 | 225.0 |
Chemical Identifiers
| CAS Number | 135631-89-9 |
|---|---|
| SMILES | CC(=CC(=O)NC1=CC=C(C=C1)Br)C |
| InChIKey | BJPQRVCCAISNSI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Butenamide, N-(4-bromophenyl)-3-methyl- (CAS 135631-89-9), with molecular formula C11H12BrNO and molecular weight 253.01 g/mol. IUPAC: N-(4-bromophenyl)-3-methylbut-2-enamide.
Chemical Property Profile of 2-Butenamide, N-(4-bromophenyl)-3-methyl-
Property Insights of 2-Butenamide, N-(4-bromophenyl)-3-methyl-
The XLogP value of 3.7 indicates that 2-Butenamide, N-(4-bromophenyl)-3-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 2-Butenamide, N-(4-bromophenyl)-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butenamide, N-(4-bromophenyl)-3-methyl- 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 2-Butenamide, N-(4-bromophenyl)-3-methyl-?
The CAS number of 2-Butenamide, N-(4-bromophenyl)-3-methyl- is 135631-89-9.
What is the molecular formula of 2-Butenamide, N-(4-bromophenyl)-3-methyl-?
The molecular formula of 2-Butenamide, N-(4-bromophenyl)-3-methyl- is C11H12BrNO.
What is the molecular weight of 2-Butenamide, N-(4-bromophenyl)-3-methyl-?
The molecular weight of 2-Butenamide, N-(4-bromophenyl)-3-methyl- is 253.01 g/mol.
Where can I buy 2-Butenamide, N-(4-bromophenyl)-3-methyl-?
You can request a quote for 2-Butenamide, N-(4-bromophenyl)-3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butenamide, N-(4-bromophenyl)-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenamide, N-(4-bromophenyl)-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.