Barbituric acid, 5-ethyl-2-imino-5-(3-methyl-2-butenyl)-
TL;DR: Barbituric acid, 5-ethyl-2-imino-5-(3-methyl-2-butenyl)- (CAS 66968-46-5) is a chemical compound with molecular formula C11H17N3O2 and molecular weight 223.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-5-ethyl-5-(3-methylbut-2-enyl)-1H-pyrimidine-4,6-dione
Also Known As: 4-25-00-04186 (Beilstein Handbook Reference), 5-Ethyl-2-imino-5-(3-methyl-2-butenyl)barbituric acid, BARBITURIC ACID, 5-ETHYL-2-IMINO-5-(3-METHYL-2-BUTENYL)-, 2-amino-5-ethyl-5-(3-methylbut-2-enyl)-1H-pyrimidine-4,6-dione, 2-amino-5-ethyl-5-(3-methylbut-2-en-1-yl)pyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C11H17N3O2 |
|---|---|
| Molecular Weight | 223.13 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 84.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.13208 |
| Heavy Atoms | 16 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 66968-46-5 |
|---|---|
| SMILES | CCC1(C(=O)NC(=NC1=O)N)CC=C(C)C |
| InChIKey | WGGNBWUUWRPJTF-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 5-ethyl-2-imino-5-(3-methyl-2-butenyl)- (CAS 66968-46-5), with molecular formula C11H17N3O2 and molecular weight 223.13 g/mol. IUPAC: 2-amino-5-ethyl-5-(3-methylbut-2-enyl)-1H-pyrimidine-4,6-dione.
Chemical Property Profile of Barbituric acid, 5-ethyl-2-imino-5-(3-methyl-2-butenyl)-
Property Insights of Barbituric acid, 5-ethyl-2-imino-5-(3-methyl-2-butenyl)-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 5-ethyl-2-imino-5-(3-methyl-2-butenyl)-. The TPSA of 84.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 5-ethyl-2-imino-5-(3-methyl-2-butenyl)-. Following Lipinski's Rule of Five, Barbituric acid, 5-ethyl-2-imino-5-(3-methyl-2-butenyl)- has 2 hydrogen bond donor(s) and 2 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-2-imino-5-(3-methyl-2-butenyl)-?
The CAS number of Barbituric acid, 5-ethyl-2-imino-5-(3-methyl-2-butenyl)- is 66968-46-5.
What is the molecular formula of Barbituric acid, 5-ethyl-2-imino-5-(3-methyl-2-butenyl)-?
The molecular formula of Barbituric acid, 5-ethyl-2-imino-5-(3-methyl-2-butenyl)- is C11H17N3O2.
What is the molecular weight of Barbituric acid, 5-ethyl-2-imino-5-(3-methyl-2-butenyl)-?
The molecular weight of Barbituric acid, 5-ethyl-2-imino-5-(3-methyl-2-butenyl)- is 223.13 g/mol.
Where can I buy Barbituric acid, 5-ethyl-2-imino-5-(3-methyl-2-butenyl)-?
You can request a quote for Barbituric acid, 5-ethyl-2-imino-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-2-imino-5-(3-methyl-2-butenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 5-ethyl-2-imino-5-(3-methyl-2-butenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.