5-Ethyl-5-(1,3-dimethyl-1-butenyl)barbituric acid
TL;DR: 5-Ethyl-5-(1,3-dimethyl-1-butenyl)barbituric acid (CAS 75016-39-6) 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-5-[(E)-4-methylpent-2-en-2-yl]-1,3-diazinane-2,4,6-trione
Also Known As: 5-Ethyl-5- barbituricacid, 5-(1,3-Dimethyl-1-butenyl)-5-ethylbarbituric acid, 5-Ethyl-5-(1,3-dimethyl-1-butenyl)barbituric acid, 5-ethyl-5-(trans-1',3'-dimethylbut-1'-enyl)barbituric acid, BARBITURIC ACID, 5-(1,3-DIMETHYL-1-BUTENYL)-5-ETHYL-
| Molecular Formula | C12H18N2O3 |
|---|---|
| Molecular Weight | 238.13 g/mol |
| LogP | 1.3511 |
| Topological Polar Surface Area | 75.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.13174 |
| Heavy Atoms | 17 |
| Complexity | 376.55493 |
Chemical Identifiers
| CAS Number | 75016-39-6 |
|---|---|
| SMILES | CCC1(C(=O)NC(=O)NC1=O)/C(=C/C(C)C)/C |
Product Overview
5-Ethyl-5-(1,3-dimethyl-1-butenyl)barbituric acid (CAS 75016-39-6), with molecular formula C12H18N2O3 and molecular weight 238.13 g/mol. IUPAC: 5-ethyl-5-[(E)-4-methylpent-2-en-2-yl]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-Ethyl-5-(1,3-dimethyl-1-butenyl)barbituric acid
Property Insights of 5-Ethyl-5-(1,3-dimethyl-1-butenyl)barbituric acid
The XLogP value of 1.3511 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Ethyl-5-(1,3-dimethyl-1-butenyl)barbituric acid. The TPSA of 75.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Ethyl-5-(1,3-dimethyl-1-butenyl)barbituric acid. Following Lipinski's Rule of Five, 5-Ethyl-5-(1,3-dimethyl-1-butenyl)barbituric acid has 2 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 5-Ethyl-5-(1,3-dimethyl-1-butenyl)barbituric acid?
The CAS number of 5-Ethyl-5-(1,3-dimethyl-1-butenyl)barbituric acid is 75016-39-6.
What is the molecular formula of 5-Ethyl-5-(1,3-dimethyl-1-butenyl)barbituric acid?
The molecular formula of 5-Ethyl-5-(1,3-dimethyl-1-butenyl)barbituric acid is C12H18N2O3.
What is the molecular weight of 5-Ethyl-5-(1,3-dimethyl-1-butenyl)barbituric acid?
The molecular weight of 5-Ethyl-5-(1,3-dimethyl-1-butenyl)barbituric acid is 238.13 g/mol.
Where can I buy 5-Ethyl-5-(1,3-dimethyl-1-butenyl)barbituric acid?
You can request a quote for 5-Ethyl-5-(1,3-dimethyl-1-butenyl)barbituric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Ethyl-5-(1,3-dimethyl-1-butenyl)barbituric acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Ethyl-5-(1,3-dimethyl-1-butenyl)barbituric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.