N-Isopropylbarbitone
TL;DR: N-Isopropylbarbitone (CAS 85432-35-5) is a chemical compound with molecular formula C11H18N2O3 and molecular weight 226.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-diethyl-1-propan-2-yl-1,3-diazinane-2,4,6-trione
Also Known As: N-Isopropylbarbitone, 5,5-Diethyl-1-isopropylbarbituric acid, 5,5-diethyl-1-isopropylpyrimidinetrione, Diethyl-5,5' isopropyl-1 pyrimidinetrione, Diethyl-5,5' isopropyl-1 pyrimidinetrione [French]
| Molecular Formula | C11H18N2O3 |
|---|---|
| Molecular Weight | 226.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.13174 |
| Heavy Atoms | 16 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 85432-35-5 |
|---|---|
| SMILES | CCC1(C(=O)NC(=O)N(C1=O)C(C)C)CC |
| InChIKey | AKBNYULNQSFESQ-UHFFFAOYSA-N |
Product Overview
N-Isopropylbarbitone (CAS 85432-35-5), with molecular formula C11H18N2O3 and molecular weight 226.13 g/mol. IUPAC: 5,5-diethyl-1-propan-2-yl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of N-Isopropylbarbitone
Property Insights of N-Isopropylbarbitone
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Isopropylbarbitone. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Isopropylbarbitone. Following Lipinski's Rule of Five, N-Isopropylbarbitone 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 N-Isopropylbarbitone?
The CAS number of N-Isopropylbarbitone is 85432-35-5.
What is the molecular formula of N-Isopropylbarbitone?
The molecular formula of N-Isopropylbarbitone is C11H18N2O3.
What is the molecular weight of N-Isopropylbarbitone?
The molecular weight of N-Isopropylbarbitone is 226.13 g/mol.
Where can I buy N-Isopropylbarbitone?
You can request a quote for N-Isopropylbarbitone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Isopropylbarbitone?
Yes, KEHONG BIO provides custom synthesis services for N-Isopropylbarbitone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.