Barbituric acid, 5-benzyl-5-propionyloxy-
TL;DR: Barbituric acid, 5-benzyl-5-propionyloxy- (CAS 37431-46-2) is a chemical compound with molecular formula C14H14N2O5 and molecular weight 290.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-benzyl-2,4,6-trioxo-1,3-diazinan-5-yl) propanoate
Also Known As: 5-Propionoxy-5-benzylbarbituric acid, BARBITURIC ACID, 5-BENZYL-5-PROPIONYLOXY-, 5-Benzyl-5-propionyloxybarbituric acid, 5-25-03-00334 (Beilstein Handbook Reference), 5-benzyl-2,4,6-trioxo-1,3-diazinan-5-yl propanoate
| Molecular Formula | C14H14N2O5 |
|---|---|
| Molecular Weight | 290.09 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 290.09027 |
| Heavy Atoms | 21 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 37431-46-2 |
|---|---|
| SMILES | CCC(=O)OC1(C(=O)NC(=O)NC1=O)CC2=CC=CC=C2 |
| InChIKey | VASKAMSZFUWCJZ-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 5-benzyl-5-propionyloxy- (CAS 37431-46-2), with molecular formula C14H14N2O5 and molecular weight 290.09 g/mol. IUPAC: (5-benzyl-2,4,6-trioxo-1,3-diazinan-5-yl) propanoate.
Chemical Property Profile of Barbituric acid, 5-benzyl-5-propionyloxy-
Property Insights of Barbituric acid, 5-benzyl-5-propionyloxy-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 5-benzyl-5-propionyloxy-. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 5-benzyl-5-propionyloxy-. Following Lipinski's Rule of Five, Barbituric acid, 5-benzyl-5-propionyloxy- 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 Barbituric acid, 5-benzyl-5-propionyloxy-?
The CAS number of Barbituric acid, 5-benzyl-5-propionyloxy- is 37431-46-2.
What is the molecular formula of Barbituric acid, 5-benzyl-5-propionyloxy-?
The molecular formula of Barbituric acid, 5-benzyl-5-propionyloxy- is C14H14N2O5.
What is the molecular weight of Barbituric acid, 5-benzyl-5-propionyloxy-?
The molecular weight of Barbituric acid, 5-benzyl-5-propionyloxy- is 290.09 g/mol.
Where can I buy Barbituric acid, 5-benzyl-5-propionyloxy-?
You can request a quote for Barbituric acid, 5-benzyl-5-propionyloxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Barbituric acid, 5-benzyl-5-propionyloxy-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 5-benzyl-5-propionyloxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.