barbituric acid, 5-sec-butyl-5-ethyl-1-methyl-, calcium salt
TL;DR: barbituric acid, 5-sec-butyl-5-ethyl-1-methyl-, calcium salt (CAS 67050-27-5) is a chemical compound with molecular formula C22H34CaN4O6 and molecular weight 490.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(5-butan-2-yl-5-ethyl-1-methyl-2,6-dioxopyrimidin-4-olate)
Also Known As: Hypnotic 8011, Calcium 5-ethyl-5-(2-butyl)-N-methyl barbiturate, 5-sec-Butyl-5-ethyl-1-methylbarbituric acid calcium salt, BARBITURIC ACID, 5-sec-BUTYL-5-ETHYL-1-METHYL-, CALCIUM SALT, calcium 5-butan-2-yl-5-ethyl-1-methyl-4,6-dioxopyrimidin-2-olate
| Molecular Formula | C22H34CaN4O6 |
|---|---|
| Molecular Weight | 490.21 g/mol |
| LogP | 1.18 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 490.21042 |
| Heavy Atoms | 33 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 67050-27-5 |
|---|---|
| SMILES | CCC(C)C1(C(=NC(=O)N(C1=O)C)[O-])CC.CCC(C)C1(C(=NC(=O)N(C1=O)C)[O-])CC.[Ca+2] |
| InChIKey | KGISGVJYCVQRHS-UHFFFAOYSA-L |
Product Overview
barbituric acid, 5-sec-butyl-5-ethyl-1-methyl-, calcium salt (CAS 67050-27-5), with molecular formula C22H34CaN4O6 and molecular weight 490.21 g/mol. IUPAC: calcium bis(5-butan-2-yl-5-ethyl-1-methyl-2,6-dioxopyrimidin-4-olate).
Chemical Property Profile of barbituric acid, 5-sec-butyl-5-ethyl-1-methyl-, calcium salt
Property Insights of barbituric acid, 5-sec-butyl-5-ethyl-1-methyl-, calcium salt
The XLogP value of 1.18 suggests moderate lipophilicity, balancing water solubility and membrane permeability for barbituric acid, 5-sec-butyl-5-ethyl-1-methyl-, calcium salt. The TPSA of 146.0 Ų indicates high polarity, suggesting barbituric acid, 5-sec-butyl-5-ethyl-1-methyl-, calcium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, barbituric acid, 5-sec-butyl-5-ethyl-1-methyl-, calcium salt has 0 hydrogen bond donor(s) and 6 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-sec-butyl-5-ethyl-1-methyl-, calcium salt?
The CAS number of barbituric acid, 5-sec-butyl-5-ethyl-1-methyl-, calcium salt is 67050-27-5.
What is the molecular formula of barbituric acid, 5-sec-butyl-5-ethyl-1-methyl-, calcium salt?
The molecular formula of barbituric acid, 5-sec-butyl-5-ethyl-1-methyl-, calcium salt is C22H34CaN4O6.
What is the molecular weight of barbituric acid, 5-sec-butyl-5-ethyl-1-methyl-, calcium salt?
The molecular weight of barbituric acid, 5-sec-butyl-5-ethyl-1-methyl-, calcium salt is 490.21 g/mol.
Where can I buy barbituric acid, 5-sec-butyl-5-ethyl-1-methyl-, calcium salt?
You can request a quote for barbituric acid, 5-sec-butyl-5-ethyl-1-methyl-, calcium salt 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-sec-butyl-5-ethyl-1-methyl-, calcium salt?
Yes, KEHONG BIO provides custom synthesis services for barbituric acid, 5-sec-butyl-5-ethyl-1-methyl-, calcium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.