Allylpropylmalonylurea
TL;DR: Allylpropylmalonylurea (CAS 7296-17-5) is a chemical compound with molecular formula C10H14N2O3 and molecular weight 210.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-prop-2-enyl-5-propyl-1,3-diazinane-2,4,6-trione
Also Known As: Allylpropylmalonylurea, 5-Allyl-5-propylbarbituric acid, allyl-propyl-barbiturate, Barbituric acid, 5-allyl-5-propyl-, Barbituric acid (8CI), 5-allyl-5-propyl-
| Molecular Formula | C10H14N2O3 |
|---|---|
| Molecular Weight | 210.10 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 210.10045 |
| Heavy Atoms | 15 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 7296-17-5 |
|---|---|
| SMILES | CCCC1(C(=O)NC(=O)NC1=O)CC=C |
| InChIKey | JLGWSCSPIJQFQK-UHFFFAOYSA-N |
Product Overview
Allylpropylmalonylurea (CAS 7296-17-5), with molecular formula C10H14N2O3 and molecular weight 210.10 g/mol. IUPAC: 5-prop-2-enyl-5-propyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Allylpropylmalonylurea
Property Insights of Allylpropylmalonylurea
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allylpropylmalonylurea. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Allylpropylmalonylurea. Following Lipinski's Rule of Five, Allylpropylmalonylurea has 2 hydrogen bond donor(s) and 3 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 Allylpropylmalonylurea?
The CAS number of Allylpropylmalonylurea is 7296-17-5.
What is the molecular formula of Allylpropylmalonylurea?
The molecular formula of Allylpropylmalonylurea is C10H14N2O3.
What is the molecular weight of Allylpropylmalonylurea?
The molecular weight of Allylpropylmalonylurea is 210.10 g/mol.
Where can I buy Allylpropylmalonylurea?
You can request a quote for Allylpropylmalonylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allylpropylmalonylurea?
Yes, KEHONG BIO provides custom synthesis services for Allylpropylmalonylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.