6-Imino-5-ethyl-5-(1-methylbutyl) barbituric acid
TL;DR: 6-Imino-5-ethyl-5-(1-methylbutyl) barbituric acid (CAS 330593-15-2) is a chemical compound with molecular formula C11H19N3O2 and molecular weight 225.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-5-ethyl-5-pentan-2-ylpyrimidine-2,4-dione
Also Known As: 6-Imino-5-ethyl-5-(1-methylbutyl) barbituric acid, 6-amino-5-ethyl-5-pentan-2-ylpyrimidine-2,4-dione, 2,4(3H,5H)-Pyrimidinedione, 6-amino-5-ethyl-5-(1-methylbutyl)-, PENTOBARBITAL IMPURITY B [EP IMPURITY], PENTOBARBITAL IMPURITY B (EP IMPURITY)
| Molecular Formula | C11H19N3O2 |
|---|---|
| Molecular Weight | 225.15 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 84.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 225.14772 |
| Heavy Atoms | 16 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 330593-15-2 |
|---|---|
| SMILES | CCCC(C)C1(C(=NC(=O)NC1=O)N)CC |
| InChIKey | CLQPRFRZKLHZSC-UHFFFAOYSA-N |
Product Overview
6-Imino-5-ethyl-5-(1-methylbutyl) barbituric acid (CAS 330593-15-2), with molecular formula C11H19N3O2 and molecular weight 225.15 g/mol. IUPAC: 6-amino-5-ethyl-5-pentan-2-ylpyrimidine-2,4-dione.
Chemical Property Profile of 6-Imino-5-ethyl-5-(1-methylbutyl) barbituric acid
Property Insights of 6-Imino-5-ethyl-5-(1-methylbutyl) barbituric acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Imino-5-ethyl-5-(1-methylbutyl) barbituric acid. The TPSA of 84.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Imino-5-ethyl-5-(1-methylbutyl) barbituric acid. Following Lipinski's Rule of Five, 6-Imino-5-ethyl-5-(1-methylbutyl) barbituric acid has 2 hydrogen bond donor(s) and 2 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 6-Imino-5-ethyl-5-(1-methylbutyl) barbituric acid?
The CAS number of 6-Imino-5-ethyl-5-(1-methylbutyl) barbituric acid is 330593-15-2.
What is the molecular formula of 6-Imino-5-ethyl-5-(1-methylbutyl) barbituric acid?
The molecular formula of 6-Imino-5-ethyl-5-(1-methylbutyl) barbituric acid is C11H19N3O2.
What is the molecular weight of 6-Imino-5-ethyl-5-(1-methylbutyl) barbituric acid?
The molecular weight of 6-Imino-5-ethyl-5-(1-methylbutyl) barbituric acid is 225.15 g/mol.
Where can I buy 6-Imino-5-ethyl-5-(1-methylbutyl) barbituric acid?
You can request a quote for 6-Imino-5-ethyl-5-(1-methylbutyl) barbituric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Imino-5-ethyl-5-(1-methylbutyl) barbituric acid?
Yes, KEHONG BIO provides custom synthesis services for 6-Imino-5-ethyl-5-(1-methylbutyl) barbituric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.