4-O-isopropyl barbitone
TL;DR: 4-O-isopropyl barbitone (CAS 85432-38-8) 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-6-propan-2-yloxypyrimidine-2,4-dione
Also Known As: 4-O-Isopropyl barbitone, 5,5-Diethyl-6-isopropoxyuracil, Uracil, 5,5-diethyl-6-isopropoxy-, 5,5-diethyl-6-propan-2-yloxypyrimidine-2,4-dione, 5,5-diethyl-4-isopropyloxy-2,6-pyrimidinedione
| Molecular Formula | C11H18N2O3 |
|---|---|
| Molecular Weight | 226.13 g/mol |
| LogP | 1.8661 |
| Topological Polar Surface Area | 67.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.13174 |
| Heavy Atoms | 16 |
| Complexity | 330.12137 |
Chemical Identifiers
| CAS Number | 85432-38-8 |
|---|---|
| SMILES | CCC1(C(=O)NC(=O)N=C1OC(C)C)CC |
Product Overview
4-O-isopropyl barbitone (CAS 85432-38-8), with molecular formula C11H18N2O3 and molecular weight 226.13 g/mol. IUPAC: 5,5-diethyl-6-propan-2-yloxypyrimidine-2,4-dione.
Chemical Property Profile of 4-O-isopropyl barbitone
Property Insights of 4-O-isopropyl barbitone
The XLogP value of 1.8661 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-O-isopropyl barbitone. The TPSA of 67.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-O-isopropyl barbitone. Following Lipinski's Rule of Five, 4-O-isopropyl barbitone 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 4-O-isopropyl barbitone?
The CAS number of 4-O-isopropyl barbitone is 85432-38-8.
What is the molecular formula of 4-O-isopropyl barbitone?
The molecular formula of 4-O-isopropyl barbitone is C11H18N2O3.
What is the molecular weight of 4-O-isopropyl barbitone?
The molecular weight of 4-O-isopropyl barbitone is 226.13 g/mol.
Where can I buy 4-O-isopropyl barbitone?
You can request a quote for 4-O-isopropyl barbitone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-O-isopropyl barbitone?
Yes, KEHONG BIO provides custom synthesis services for 4-O-isopropyl barbitone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.