RefChem:1069504
TL;DR: RefChem:1069504 (CAS 53761-10-7) is a chemical compound with molecular formula C16H16N2O5 and molecular weight 316.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,4,6-trioxo-5-(2-phenylethyl)-1,3-diazinan-5-yl] cyclopropanecarboxylate
Also Known As: 5-Cyclopropylcarbonyloxy-5-(1-phenylethyl)barbituric acid, Barbituric acid, 5-cyclopropylcarbonyloxy-5-(1-phenethyl)-, (2,4,6-trioxo-5-phenethyl-1,3-diazinan-5-yl) cyclopropanecarboxylate, 2,4,6-trioxo-5-(2-phenylethyl)hexahydropyrimidin-5-yl cyclopropanecarboxylate, 5-tert-butylperoxy-5-phenethyl-1,3-diazinane-2,4,6-trione
| Molecular Formula | C16H16N2O5 |
|---|---|
| Molecular Weight | 316.11 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 316.10593 |
| Heavy Atoms | 23 |
| Complexity | 515.0 |
Chemical Identifiers
| CAS Number | 53761-10-7 |
|---|---|
| SMILES | C1CC1C(=O)OC2(C(=O)NC(=O)NC2=O)CCC3=CC=CC=C3 |
| InChIKey | YRRYKNQYTLXTQU-UHFFFAOYSA-N |
Product Overview
RefChem:1069504 (CAS 53761-10-7), with molecular formula C16H16N2O5 and molecular weight 316.11 g/mol. IUPAC: [2,4,6-trioxo-5-(2-phenylethyl)-1,3-diazinan-5-yl] cyclopropanecarboxylate.
Chemical Property Profile of RefChem:1069504
Property Insights of RefChem:1069504
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1069504. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1069504. Following Lipinski's Rule of Five, RefChem:1069504 has 2 hydrogen bond donor(s) and 5 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 RefChem:1069504?
The CAS number of RefChem:1069504 is 53761-10-7.
What is the molecular formula of RefChem:1069504?
The molecular formula of RefChem:1069504 is C16H16N2O5.
What is the molecular weight of RefChem:1069504?
The molecular weight of RefChem:1069504 is 316.11 g/mol.
Where can I buy RefChem:1069504?
You can request a quote for RefChem:1069504 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1069504?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1069504 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.