5-Allyl-5-(2-(cyclohexylamino)propyl)barbituric acid
TL;DR: 5-Allyl-5-(2-(cyclohexylamino)propyl)barbituric acid (CAS 52116-27-5) is a chemical compound with molecular formula C16H25N3O3 and molecular weight 307.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(cyclohexylamino)propyl]-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Also Known As: 5-Allyl-5-(2-(cyclohexylamino)propyl)barbituric acid, 5-25-16-00118 (Beilstein Handbook Reference), BARBITURIC ACID, 5-ALLYL-5-(2-(CYCLOHEXYLAMINO)PROPYL)-, 5-[2-(cyclohexylamino)propyl]-5-prop-2-enyl-1,3-diazinane-2,4,6-trione, 5-[2-(Cyclohexylamino)propyl]-4,6-dihydroxy-5-(prop-2-en-1-yl)pyrimidin-2(5H)-one
| Molecular Formula | C16H25N3O3 |
|---|---|
| Molecular Weight | 307.19 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 87.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 307.1896 |
| Heavy Atoms | 22 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 52116-27-5 |
|---|---|
| SMILES | CC(CC1(C(=O)NC(=O)NC1=O)CC=C)NC2CCCCC2 |
| InChIKey | AMNCJCPIBOZGHF-UHFFFAOYSA-N |
Product Overview
5-Allyl-5-(2-(cyclohexylamino)propyl)barbituric acid (CAS 52116-27-5), with molecular formula C16H25N3O3 and molecular weight 307.19 g/mol. IUPAC: 5-[2-(cyclohexylamino)propyl]-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-Allyl-5-(2-(cyclohexylamino)propyl)barbituric acid
Property Insights of 5-Allyl-5-(2-(cyclohexylamino)propyl)barbituric acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Allyl-5-(2-(cyclohexylamino)propyl)barbituric acid. The TPSA of 87.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Allyl-5-(2-(cyclohexylamino)propyl)barbituric acid. Following Lipinski's Rule of Five, 5-Allyl-5-(2-(cyclohexylamino)propyl)barbituric acid has 3 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-Allyl-5-(2-(cyclohexylamino)propyl)barbituric acid?
The CAS number of 5-Allyl-5-(2-(cyclohexylamino)propyl)barbituric acid is 52116-27-5.
What is the molecular formula of 5-Allyl-5-(2-(cyclohexylamino)propyl)barbituric acid?
The molecular formula of 5-Allyl-5-(2-(cyclohexylamino)propyl)barbituric acid is C16H25N3O3.
What is the molecular weight of 5-Allyl-5-(2-(cyclohexylamino)propyl)barbituric acid?
The molecular weight of 5-Allyl-5-(2-(cyclohexylamino)propyl)barbituric acid is 307.19 g/mol.
Where can I buy 5-Allyl-5-(2-(cyclohexylamino)propyl)barbituric acid?
You can request a quote for 5-Allyl-5-(2-(cyclohexylamino)propyl)barbituric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Allyl-5-(2-(cyclohexylamino)propyl)barbituric acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Allyl-5-(2-(cyclohexylamino)propyl)barbituric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.