3'-Ketobutobarbitone
TL;DR: 3'-Ketobutobarbitone (CAS 6341-58-8) is a chemical compound with molecular formula C10H14N2O4 and molecular weight 226.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-5-(3-oxobutyl)-1,3-diazinane-2,4,6-trione
Also Known As: 3'-Ketobutobarbitone, 5-ethyl-5-(3-oxobutyl)-1,3-diazinane-2,4,6-trione, 5-ethyl-5-(3-oxobutyl)pyrimidine-2,4,6(1h,3h,5h)-trione, 5-Ethyl-5-(3-oxobutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione, 5-Ethyl-5-(3-oxobutyl)-hexahydropyrimidin-2,4,6-trione
| Molecular Formula | C10H14N2O4 |
|---|---|
| Molecular Weight | 226.10 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 92.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.09535 |
| Heavy Atoms | 16 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 6341-58-8 |
|---|---|
| SMILES | CCC1(C(=O)NC(=O)NC1=O)CCC(=O)C |
| InChIKey | HSOYKAKLDCBODZ-UHFFFAOYSA-N |
Product Overview
3'-Ketobutobarbitone (CAS 6341-58-8), with molecular formula C10H14N2O4 and molecular weight 226.10 g/mol. IUPAC: 5-ethyl-5-(3-oxobutyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 3'-Ketobutobarbitone
Property Insights of 3'-Ketobutobarbitone
The XLogP value of -0.2 indicates that 3'-Ketobutobarbitone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 92.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-Ketobutobarbitone. Following Lipinski's Rule of Five, 3'-Ketobutobarbitone 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 3'-Ketobutobarbitone?
The CAS number of 3'-Ketobutobarbitone is 6341-58-8.
What is the molecular formula of 3'-Ketobutobarbitone?
The molecular formula of 3'-Ketobutobarbitone is C10H14N2O4.
What is the molecular weight of 3'-Ketobutobarbitone?
The molecular weight of 3'-Ketobutobarbitone is 226.10 g/mol.
Where can I buy 3'-Ketobutobarbitone?
You can request a quote for 3'-Ketobutobarbitone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-Ketobutobarbitone?
Yes, KEHONG BIO provides custom synthesis services for 3'-Ketobutobarbitone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.