3-Bromo-4-methylpyrrole-2,5-dione
TL;DR: 3-Bromo-4-methylpyrrole-2,5-dione (CAS 69636-51-7) is a chemical compound with molecular formula C5H4BrNO2 and molecular weight 188.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-4-methylpyrrole-2,5-dione
Also Known As: bromcitraconimide, 3-bromo-4-methylpyrrole-2,5-dione, 3-bromo-4-methyl-pyrrole-2,5-dione, 3-bromo-4-methyl-1H-pyrrole-2,5-dione, RefChem:277488
| Molecular Formula | C5H4BrNO2 |
|---|---|
| Molecular Weight | 188.94 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 188.94254 |
| Heavy Atoms | 9 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 69636-51-7 |
|---|---|
| SMILES | CC1=C(C(=O)NC1=O)Br |
| InChIKey | MUKSFXNFJBIMNN-UHFFFAOYSA-N |
Product Overview
3-Bromo-4-methylpyrrole-2,5-dione (CAS 69636-51-7), with molecular formula C5H4BrNO2 and molecular weight 188.94 g/mol. IUPAC: 3-bromo-4-methylpyrrole-2,5-dione.
Chemical Property Profile of 3-Bromo-4-methylpyrrole-2,5-dione
Property Insights of 3-Bromo-4-methylpyrrole-2,5-dione
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-4-methylpyrrole-2,5-dione. With a topological polar surface area (TPSA) of 46.2 Ų, 3-Bromo-4-methylpyrrole-2,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-4-methylpyrrole-2,5-dione has 1 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 3-Bromo-4-methylpyrrole-2,5-dione?
The CAS number of 3-Bromo-4-methylpyrrole-2,5-dione is 69636-51-7.
What is the molecular formula of 3-Bromo-4-methylpyrrole-2,5-dione?
The molecular formula of 3-Bromo-4-methylpyrrole-2,5-dione is C5H4BrNO2.
What is the molecular weight of 3-Bromo-4-methylpyrrole-2,5-dione?
The molecular weight of 3-Bromo-4-methylpyrrole-2,5-dione is 188.94 g/mol.
Where can I buy 3-Bromo-4-methylpyrrole-2,5-dione?
You can request a quote for 3-Bromo-4-methylpyrrole-2,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-4-methylpyrrole-2,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-4-methylpyrrole-2,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.