Barbituric acid, 1-butyl-5-sec-butyl-
TL;DR: Barbituric acid, 1-butyl-5-sec-butyl- (CAS 67050-20-8) is a chemical compound with molecular formula C12H20N2O3 and molecular weight 240.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-butan-2-yl-1-butyl-1,3-diazinane-2,4,6-trione
Also Known As: 1-Butyl-5-sec-butylbarbituric acid, BARBITURIC ACID, 1-BUTYL-5-sec-BUTYL-, 5-butan-2-yl-1-butyl-1,3-diazinane-2,4,6-trione, 5-(butan-2-yl)-1-butyl-1,3-diazinane-2,4,6-trione, 1-Butyl-5-sec-butyl-2,4,6(1H,3H,5H)-pyrimidinetrione
| Molecular Formula | C12H20N2O3 |
|---|---|
| Molecular Weight | 240.15 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 240.1474 |
| Heavy Atoms | 17 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 67050-20-8 |
|---|---|
| SMILES | CCCCN1C(=O)C(C(=O)NC1=O)C(C)CC |
| InChIKey | ZIOVKDDTXNWBNJ-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 1-butyl-5-sec-butyl- (CAS 67050-20-8), with molecular formula C12H20N2O3 and molecular weight 240.15 g/mol. IUPAC: 5-butan-2-yl-1-butyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Barbituric acid, 1-butyl-5-sec-butyl-
Property Insights of Barbituric acid, 1-butyl-5-sec-butyl-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 1-butyl-5-sec-butyl-. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 1-butyl-5-sec-butyl-. Following Lipinski's Rule of Five, Barbituric acid, 1-butyl-5-sec-butyl- 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, 1-butyl-5-sec-butyl-?
The CAS number of Barbituric acid, 1-butyl-5-sec-butyl- is 67050-20-8.
What is the molecular formula of Barbituric acid, 1-butyl-5-sec-butyl-?
The molecular formula of Barbituric acid, 1-butyl-5-sec-butyl- is C12H20N2O3.
What is the molecular weight of Barbituric acid, 1-butyl-5-sec-butyl-?
The molecular weight of Barbituric acid, 1-butyl-5-sec-butyl- is 240.15 g/mol.
Where can I buy Barbituric acid, 1-butyl-5-sec-butyl-?
You can request a quote for Barbituric acid, 1-butyl-5-sec-butyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Barbituric acid, 1-butyl-5-sec-butyl-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 1-butyl-5-sec-butyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.