Barbituric acid, 5-ethyl-1-methyl-5-(3-methyl-2-butenyl)-
TL;DR: Barbituric acid, 5-ethyl-1-methyl-5-(3-methyl-2-butenyl)- (CAS 66968-87-4) is a chemical compound with molecular formula C12H18N2O3 and molecular weight 238.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-1-methyl-5-(3-methylbut-2-enyl)-1,3-diazinane-2,4,6-trione
Also Known As: BARBITURIC ACID, 5-ETHYL-1-METHYL-5-(3-METHYL-2-BUTENYL)-, 5-Ethyl-1-methyl-5-(3-methyl-2-butenyl)barbituric acid, 4-24-00-02001 (Beilstein Handbook Reference), 5-ethyl-1-methyl-5-(3-methylbut-2-enyl)-1,3-diazinane-2,4,6-trione, 5-ethyl-1-methyl-5-(3-methylbut-2-en-1-yl)-1,3-diazinane-2,4,6-trione
| Molecular Formula | C12H18N2O3 |
|---|---|
| Molecular Weight | 238.13 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.13174 |
| Heavy Atoms | 17 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 66968-87-4 |
|---|---|
| SMILES | CCC1(C(=O)NC(=O)N(C1=O)C)CC=C(C)C |
| InChIKey | QRTUCQRSZOGCBS-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 5-ethyl-1-methyl-5-(3-methyl-2-butenyl)- (CAS 66968-87-4), with molecular formula C12H18N2O3 and molecular weight 238.13 g/mol. IUPAC: 5-ethyl-1-methyl-5-(3-methylbut-2-enyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Barbituric acid, 5-ethyl-1-methyl-5-(3-methyl-2-butenyl)-
Property Insights of Barbituric acid, 5-ethyl-1-methyl-5-(3-methyl-2-butenyl)-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 5-ethyl-1-methyl-5-(3-methyl-2-butenyl)-. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 5-ethyl-1-methyl-5-(3-methyl-2-butenyl)-. Following Lipinski's Rule of Five, Barbituric acid, 5-ethyl-1-methyl-5-(3-methyl-2-butenyl)- has 1 hydrogen bond donor(s) and 3 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-1-methyl-5-(3-methyl-2-butenyl)-?
The CAS number of Barbituric acid, 5-ethyl-1-methyl-5-(3-methyl-2-butenyl)- is 66968-87-4.
What is the molecular formula of Barbituric acid, 5-ethyl-1-methyl-5-(3-methyl-2-butenyl)-?
The molecular formula of Barbituric acid, 5-ethyl-1-methyl-5-(3-methyl-2-butenyl)- is C12H18N2O3.
What is the molecular weight of Barbituric acid, 5-ethyl-1-methyl-5-(3-methyl-2-butenyl)-?
The molecular weight of Barbituric acid, 5-ethyl-1-methyl-5-(3-methyl-2-butenyl)- is 238.13 g/mol.
Where can I buy Barbituric acid, 5-ethyl-1-methyl-5-(3-methyl-2-butenyl)-?
You can request a quote for Barbituric acid, 5-ethyl-1-methyl-5-(3-methyl-2-butenyl)- 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-1-methyl-5-(3-methyl-2-butenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 5-ethyl-1-methyl-5-(3-methyl-2-butenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.