Barbituric acid, 5-ethyl-5-(1-methyl-1-nitroethyl)-
TL;DR: Barbituric acid, 5-ethyl-5-(1-methyl-1-nitroethyl)- (CAS 66968-90-9) is a chemical compound with molecular formula C9H13N3O5 and molecular weight 243.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-5-(2-nitropropan-2-yl)-1,3-diazinane-2,4,6-trione
Also Known As: 5-Ethyl-5- barbituricacid, 5-Ethyl-5-(1-methyl-1-nitroethyl)barbituric acid, BARBITURIC ACID, 5-ETHYL-5-(1-METHYL-1-NITROETHYL)-, 4-24-00-01936 (Beilstein Handbook Reference), 5-ethyl-5-(2-nitropropan-2-yl)-1,3-diazinane-2,4,6-trione
| Molecular Formula | C9H13N3O5 |
|---|---|
| Molecular Weight | 243.09 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.08553 |
| Heavy Atoms | 17 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 66968-90-9 |
|---|---|
| SMILES | CCC1(C(=O)NC(=O)NC1=O)C(C)(C)[N+](=O)[O-] |
| InChIKey | QAMTVHWKBPAGTG-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 5-ethyl-5-(1-methyl-1-nitroethyl)- (CAS 66968-90-9), with molecular formula C9H13N3O5 and molecular weight 243.09 g/mol. IUPAC: 5-ethyl-5-(2-nitropropan-2-yl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Barbituric acid, 5-ethyl-5-(1-methyl-1-nitroethyl)-
Property Insights of Barbituric acid, 5-ethyl-5-(1-methyl-1-nitroethyl)-
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 5-ethyl-5-(1-methyl-1-nitroethyl)-. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 5-ethyl-5-(1-methyl-1-nitroethyl)-. Following Lipinski's Rule of Five, Barbituric acid, 5-ethyl-5-(1-methyl-1-nitroethyl)- 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-ethyl-5-(1-methyl-1-nitroethyl)-?
The CAS number of Barbituric acid, 5-ethyl-5-(1-methyl-1-nitroethyl)- is 66968-90-9.
What is the molecular formula of Barbituric acid, 5-ethyl-5-(1-methyl-1-nitroethyl)-?
The molecular formula of Barbituric acid, 5-ethyl-5-(1-methyl-1-nitroethyl)- is C9H13N3O5.
What is the molecular weight of Barbituric acid, 5-ethyl-5-(1-methyl-1-nitroethyl)-?
The molecular weight of Barbituric acid, 5-ethyl-5-(1-methyl-1-nitroethyl)- is 243.09 g/mol.
Where can I buy Barbituric acid, 5-ethyl-5-(1-methyl-1-nitroethyl)-?
You can request a quote for Barbituric acid, 5-ethyl-5-(1-methyl-1-nitroethyl)- 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-ethyl-5-(1-methyl-1-nitroethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 5-ethyl-5-(1-methyl-1-nitroethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.