Barbituric acid, 5-ethyl-5-(1-(isopentyloxy)vinyl)-
TL;DR: Barbituric acid, 5-ethyl-5-(1-(isopentyloxy)vinyl)- (CAS 69766-55-8) is a chemical compound with molecular formula C13H20N2O4 and molecular weight 268.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-5-[1-(3-methylbutoxy)ethenyl]-1,3-diazinane-2,4,6-trione
Also Known As: 5-Ethyl-5-(1-(isopentyloxy)vinyl)barbituric acid, BARBITURIC ACID, 5-ETHYL-5-(1-(ISOPENTYLOXY)VINYL)-, 4-25-00-00455 (Beilstein Handbook Reference), 5-Ethyl-5-[1-(isopentyloxy)vinyl]barbituric acid, 5-ethyl-5-[1-(3-methylbutoxy)ethenyl]-1,3-diazinane-2,4,6-trione
| Molecular Formula | C13H20N2O4 |
|---|---|
| Molecular Weight | 268.14 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 268.1423 |
| Heavy Atoms | 19 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 69766-55-8 |
|---|---|
| SMILES | CCC1(C(=O)NC(=O)NC1=O)C(=C)OCCC(C)C |
| InChIKey | YYZIDSMCIRHLEC-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 5-ethyl-5-(1-(isopentyloxy)vinyl)- (CAS 69766-55-8), with molecular formula C13H20N2O4 and molecular weight 268.14 g/mol. IUPAC: 5-ethyl-5-[1-(3-methylbutoxy)ethenyl]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Barbituric acid, 5-ethyl-5-(1-(isopentyloxy)vinyl)-
Property Insights of Barbituric acid, 5-ethyl-5-(1-(isopentyloxy)vinyl)-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 5-ethyl-5-(1-(isopentyloxy)vinyl)-. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 5-ethyl-5-(1-(isopentyloxy)vinyl)-. Following Lipinski's Rule of Five, Barbituric acid, 5-ethyl-5-(1-(isopentyloxy)vinyl)- has 2 hydrogen bond donor(s) and 4 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-(isopentyloxy)vinyl)-?
The CAS number of Barbituric acid, 5-ethyl-5-(1-(isopentyloxy)vinyl)- is 69766-55-8.
What is the molecular formula of Barbituric acid, 5-ethyl-5-(1-(isopentyloxy)vinyl)-?
The molecular formula of Barbituric acid, 5-ethyl-5-(1-(isopentyloxy)vinyl)- is C13H20N2O4.
What is the molecular weight of Barbituric acid, 5-ethyl-5-(1-(isopentyloxy)vinyl)-?
The molecular weight of Barbituric acid, 5-ethyl-5-(1-(isopentyloxy)vinyl)- is 268.14 g/mol.
Where can I buy Barbituric acid, 5-ethyl-5-(1-(isopentyloxy)vinyl)-?
You can request a quote for Barbituric acid, 5-ethyl-5-(1-(isopentyloxy)vinyl)- 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-(isopentyloxy)vinyl)-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 5-ethyl-5-(1-(isopentyloxy)vinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.