5-Acetonyl-5-iso-propylbarbiturate
TL;DR: 5-Acetonyl-5-iso-propylbarbiturate (CAS 32038-73-6) is a chemical compound with molecular formula C10H14N2O4 and molecular weight 226.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-oxopropyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione
Also Known As: Propallylonal M (des-Br, OH), 5-Acetonyl-5-iso-propylbarbiturate, Barbituric cid, 5-acetonyl-5-isopropyl-, 5-(2-oxopropyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione, 4,6-Dihydroxy-5-(2-oxopropyl)-5-(propan-2-yl)pyrimidin-2(5H)-one
| Molecular Formula | C10H14N2O4 |
|---|---|
| Molecular Weight | 226.10 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 92.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.09535 |
| Heavy Atoms | 16 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 32038-73-6 |
|---|---|
| SMILES | CC(C)C1(C(=O)NC(=O)NC1=O)CC(=O)C |
| InChIKey | MWGMIUKHWREFPM-UHFFFAOYSA-N |
Product Overview
5-Acetonyl-5-iso-propylbarbiturate (CAS 32038-73-6), with molecular formula C10H14N2O4 and molecular weight 226.10 g/mol. IUPAC: 5-(2-oxopropyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-Acetonyl-5-iso-propylbarbiturate
Property Insights of 5-Acetonyl-5-iso-propylbarbiturate
The XLogP value of -0.3 indicates that 5-Acetonyl-5-iso-propylbarbiturate 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 5-Acetonyl-5-iso-propylbarbiturate. Following Lipinski's Rule of Five, 5-Acetonyl-5-iso-propylbarbiturate 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 5-Acetonyl-5-iso-propylbarbiturate?
The CAS number of 5-Acetonyl-5-iso-propylbarbiturate is 32038-73-6.
What is the molecular formula of 5-Acetonyl-5-iso-propylbarbiturate?
The molecular formula of 5-Acetonyl-5-iso-propylbarbiturate is C10H14N2O4.
What is the molecular weight of 5-Acetonyl-5-iso-propylbarbiturate?
The molecular weight of 5-Acetonyl-5-iso-propylbarbiturate is 226.10 g/mol.
Where can I buy 5-Acetonyl-5-iso-propylbarbiturate?
You can request a quote for 5-Acetonyl-5-iso-propylbarbiturate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Acetonyl-5-iso-propylbarbiturate?
Yes, KEHONG BIO provides custom synthesis services for 5-Acetonyl-5-iso-propylbarbiturate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.