RefChem:1069500
TL;DR: RefChem:1069500 (CAS 55683-33-5) is a chemical compound with molecular formula C16H18N2O5 and molecular weight 318.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,4,6-trioxo-5-(1-phenylethyl)-1,3-diazinan-5-yl] 2-methylpropanoate
Also Known As: 5-Isobutyryloxy-5-(1-phenylethyl)barbituric acid, Barbituric acid, 5-isobutyryloxy-5-(1-phenethyl)-, 5-25-03-00337 (Beilstein Handbook Reference), 5-Isobutyryloxy-5-(alpha-methylbenzyl)barbituric acid, Propanoic acid, 2-methyl-, hexahydro-2,4,6-trioxo-5-(1-phenylethyl)-5-pyrimidinyl ester
| Molecular Formula | C16H18N2O5 |
|---|---|
| Molecular Weight | 318.12 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.12158 |
| Heavy Atoms | 23 |
| Complexity | 503.0 |
Chemical Identifiers
| CAS Number | 55683-33-5 |
|---|---|
| SMILES | CC(C)C(=O)OC1(C(=O)NC(=O)NC1=O)C(C)C2=CC=CC=C2 |
| InChIKey | IOBTZSDTPDLZMK-UHFFFAOYSA-N |
Product Overview
RefChem:1069500 (CAS 55683-33-5), with molecular formula C16H18N2O5 and molecular weight 318.12 g/mol. IUPAC: [2,4,6-trioxo-5-(1-phenylethyl)-1,3-diazinan-5-yl] 2-methylpropanoate.
Chemical Property Profile of RefChem:1069500
Property Insights of RefChem:1069500
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1069500. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1069500. Following Lipinski's Rule of Five, RefChem:1069500 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:1069500?
The CAS number of RefChem:1069500 is 55683-33-5.
What is the molecular formula of RefChem:1069500?
The molecular formula of RefChem:1069500 is C16H18N2O5.
What is the molecular weight of RefChem:1069500?
The molecular weight of RefChem:1069500 is 318.12 g/mol.
Where can I buy RefChem:1069500?
You can request a quote for RefChem:1069500 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1069500?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1069500 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.