Brallobarbital M (des-Br, OH)
TL;DR: Brallobarbital M (des-Br, OH) (CAS 21248-32-8) is a chemical compound with molecular formula C10H12N2O4 and molecular weight 224.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-oxopropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Also Known As: Brallobarbital M (des-Br, OH), 5-(2-oxopropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-oxopropyl)-5-(2-propen-1-yl)-, 5-(2-OXOPROPYL)-5-(PROP-2-EN-1-YL)-1,3-DIAZINANE-2,4,6-TRIONE, 5-(2-oxopropyl)-5-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C10H12N2O4 |
|---|---|
| Molecular Weight | 224.08 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 92.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.07971 |
| Heavy Atoms | 16 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 21248-32-8 |
|---|---|
| SMILES | CC(=O)CC1(C(=O)NC(=O)NC1=O)CC=C |
| InChIKey | NUGVFEZFAAGPMS-UHFFFAOYSA-N |
Product Overview
Brallobarbital M (des-Br, OH) (CAS 21248-32-8), with molecular formula C10H12N2O4 and molecular weight 224.08 g/mol. IUPAC: 5-(2-oxopropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Brallobarbital M (des-Br, OH)
Property Insights of Brallobarbital M (des-Br, OH)
The XLogP value of -0.5 indicates that Brallobarbital M (des-Br, OH) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 92.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Brallobarbital M (des-Br, OH). Following Lipinski's Rule of Five, Brallobarbital M (des-Br, OH) 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 Brallobarbital M (des-Br, OH)?
The CAS number of Brallobarbital M (des-Br, OH) is 21248-32-8.
What is the molecular formula of Brallobarbital M (des-Br, OH)?
The molecular formula of Brallobarbital M (des-Br, OH) is C10H12N2O4.
What is the molecular weight of Brallobarbital M (des-Br, OH)?
The molecular weight of Brallobarbital M (des-Br, OH) is 224.08 g/mol.
Where can I buy Brallobarbital M (des-Br, OH)?
You can request a quote for Brallobarbital M (des-Br, OH) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Brallobarbital M (des-Br, OH)?
Yes, KEHONG BIO provides custom synthesis services for Brallobarbital M (des-Br, OH) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.