Bromacrylide
TL;DR: Bromacrylide (CAS 4213-51-8) is a chemical compound with molecular formula C7H11BrN2O2 and molecular weight 234.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N-[(prop-2-enoylamino)methyl]propanamide
Also Known As: Bromacrylide, Bromacrylidum, Bromacrylida, bromacrilida, Bromacrylide [INN]
| Molecular Formula | C7H11BrN2O2 |
|---|---|
| Molecular Weight | 234.00 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 234.0004 |
| Heavy Atoms | 12 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 4213-51-8 |
|---|---|
| SMILES | C=CC(=O)NCNC(=O)CCBr |
| InChIKey | CDOUZKKFHVEKRI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bromacrylide (CAS 4213-51-8), with molecular formula C7H11BrN2O2 and molecular weight 234.00 g/mol. IUPAC: 3-bromo-N-[(prop-2-enoylamino)methyl]propanamide.
Chemical Property Profile of Bromacrylide
Property Insights of Bromacrylide
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bromacrylide. With a topological polar surface area (TPSA) of 58.2 Ų, Bromacrylide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bromacrylide has 2 hydrogen bond donor(s) and 2 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 Bromacrylide?
The CAS number of Bromacrylide is 4213-51-8.
What is the molecular formula of Bromacrylide?
The molecular formula of Bromacrylide is C7H11BrN2O2.
What is the molecular weight of Bromacrylide?
The molecular weight of Bromacrylide is 234.00 g/mol.
Where can I buy Bromacrylide?
You can request a quote for Bromacrylide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bromacrylide?
Yes, KEHONG BIO provides custom synthesis services for Bromacrylide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.