5-allyl-5-(beta-hydroxypropyl)-N-phenylbarbituric acid
TL;DR: 5-allyl-5-(beta-hydroxypropyl)-N-phenylbarbituric acid (CAS 14305-83-0) is a chemical compound with molecular formula C16H18N2O4 and molecular weight 302.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-hydroxypropyl)-1-phenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Also Known As: 5-Allyl-5-(beta-hydroxypropyl)-N-phenylbarbituric acid, 5-Allil-(beta-idrossi)propil-N-fentilbariturico, 5-Allyl-5-(2-hydroxypropyl)-1-phenyl-barbituric acid, 5-25-03-00295 (Beilstein Handbook Reference), 5-Allyl-5-(beta-hydroxy)propyl-N-phenylbarbituric acid
| Molecular Formula | C16H18N2O4 |
|---|---|
| Molecular Weight | 302.13 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 302.12665 |
| Heavy Atoms | 22 |
| Complexity | 485.0 |
Chemical Identifiers
| CAS Number | 14305-83-0 |
|---|---|
| SMILES | CC(CC1(C(=O)NC(=O)N(C1=O)C2=CC=CC=C2)CC=C)O |
| InChIKey | HLLVNQIINMJLBS-UHFFFAOYSA-N |
Product Overview
5-allyl-5-(beta-hydroxypropyl)-N-phenylbarbituric acid (CAS 14305-83-0), with molecular formula C16H18N2O4 and molecular weight 302.13 g/mol. IUPAC: 5-(2-hydroxypropyl)-1-phenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-allyl-5-(beta-hydroxypropyl)-N-phenylbarbituric acid
Property Insights of 5-allyl-5-(beta-hydroxypropyl)-N-phenylbarbituric acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-allyl-5-(beta-hydroxypropyl)-N-phenylbarbituric acid. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-allyl-5-(beta-hydroxypropyl)-N-phenylbarbituric acid. Following Lipinski's Rule of Five, 5-allyl-5-(beta-hydroxypropyl)-N-phenylbarbituric acid 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-allyl-5-(beta-hydroxypropyl)-N-phenylbarbituric acid?
The CAS number of 5-allyl-5-(beta-hydroxypropyl)-N-phenylbarbituric acid is 14305-83-0.
What is the molecular formula of 5-allyl-5-(beta-hydroxypropyl)-N-phenylbarbituric acid?
The molecular formula of 5-allyl-5-(beta-hydroxypropyl)-N-phenylbarbituric acid is C16H18N2O4.
What is the molecular weight of 5-allyl-5-(beta-hydroxypropyl)-N-phenylbarbituric acid?
The molecular weight of 5-allyl-5-(beta-hydroxypropyl)-N-phenylbarbituric acid is 302.13 g/mol.
Where can I buy 5-allyl-5-(beta-hydroxypropyl)-N-phenylbarbituric acid?
You can request a quote for 5-allyl-5-(beta-hydroxypropyl)-N-phenylbarbituric 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-(beta-hydroxypropyl)-N-phenylbarbituric acid?
Yes, KEHONG BIO provides custom synthesis services for 5-allyl-5-(beta-hydroxypropyl)-N-phenylbarbituric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.