Barbituric acid, 1,3-bis(acetoxymethyl)-5,5-diethyl-
TL;DR: Barbituric acid, 1,3-bis(acetoxymethyl)-5,5-diethyl- (CAS 27506-82-7) is a chemical compound with molecular formula C14H20N2O7 and molecular weight 328.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(acetyloxymethyl)-5,5-diethyl-2,4,6-trioxo-1,3-diazinan-1-yl]methyl acetate
Also Known As: 1,3-Bis -5,5-diethylbarbituricacid, 1,3-Bis(acetoxymethyl)-5,5-diethylbarbituric acid, BARBITURIC ACID, 1,3-BIS(ACETOXYMETHYL)-5,5-DIETHYL-, 5-24-09-00142 (Beilstein Handbook Reference), Barbituric acid, 5,5-diethyl-1,3-bis(hydroxymethyl)-, diacetate (ester)
| Molecular Formula | C14H20N2O7 |
|---|---|
| Molecular Weight | 328.13 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 328.12704 |
| Heavy Atoms | 23 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 27506-82-7 |
|---|---|
| SMILES | CCC1(C(=O)N(C(=O)N(C1=O)COC(=O)C)COC(=O)C)CC |
| InChIKey | RIRXYASKYWHVTR-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 1,3-bis(acetoxymethyl)-5,5-diethyl- (CAS 27506-82-7), with molecular formula C14H20N2O7 and molecular weight 328.13 g/mol. IUPAC: [3-(acetyloxymethyl)-5,5-diethyl-2,4,6-trioxo-1,3-diazinan-1-yl]methyl acetate.
Chemical Property Profile of Barbituric acid, 1,3-bis(acetoxymethyl)-5,5-diethyl-
Property Insights of Barbituric acid, 1,3-bis(acetoxymethyl)-5,5-diethyl-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 1,3-bis(acetoxymethyl)-5,5-diethyl-. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 1,3-bis(acetoxymethyl)-5,5-diethyl-. Following Lipinski's Rule of Five, Barbituric acid, 1,3-bis(acetoxymethyl)-5,5-diethyl- has 0 hydrogen bond donor(s) and 7 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, 1,3-bis(acetoxymethyl)-5,5-diethyl-?
The CAS number of Barbituric acid, 1,3-bis(acetoxymethyl)-5,5-diethyl- is 27506-82-7.
What is the molecular formula of Barbituric acid, 1,3-bis(acetoxymethyl)-5,5-diethyl-?
The molecular formula of Barbituric acid, 1,3-bis(acetoxymethyl)-5,5-diethyl- is C14H20N2O7.
What is the molecular weight of Barbituric acid, 1,3-bis(acetoxymethyl)-5,5-diethyl-?
The molecular weight of Barbituric acid, 1,3-bis(acetoxymethyl)-5,5-diethyl- is 328.13 g/mol.
Where can I buy Barbituric acid, 1,3-bis(acetoxymethyl)-5,5-diethyl-?
You can request a quote for Barbituric acid, 1,3-bis(acetoxymethyl)-5,5-diethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Barbituric acid, 1,3-bis(acetoxymethyl)-5,5-diethyl-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 1,3-bis(acetoxymethyl)-5,5-diethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.