Barbituric acid, 1-benzyl-5-ethyl-5-isopentyl-
TL;DR: Barbituric acid, 1-benzyl-5-ethyl-5-isopentyl- (CAS 73680-98-5) is a chemical compound with molecular formula C18H24N2O3 and molecular weight 316.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione
Also Known As: 1-Benzyl-5-ethyl-5-isoamyl barbituric acid, 1-Benzyl-5-ethyl-5-isopentyl barbituric acid, 1-Benzyl-5-ethyl-5-isopentylbarbituricacid, BARBITURIC ACID, 1-BENZYL-5-ETHYL-5-ISOPENTYL-, 1-Benzyl-5-ethyl-5-isopentylbarbituric acid
| Molecular Formula | C18H24N2O3 |
|---|---|
| Molecular Weight | 316.18 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 316.17868 |
| Heavy Atoms | 23 |
| Complexity | 469.0 |
Chemical Identifiers
| CAS Number | 73680-98-5 |
|---|---|
| SMILES | CCC1(C(=O)NC(=O)N(C1=O)CC2=CC=CC=C2)CCC(C)C |
| InChIKey | JNFAJTHZJGSFSA-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 1-benzyl-5-ethyl-5-isopentyl- (CAS 73680-98-5), with molecular formula C18H24N2O3 and molecular weight 316.18 g/mol. IUPAC: 1-benzyl-5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Barbituric acid, 1-benzyl-5-ethyl-5-isopentyl-
Property Insights of Barbituric acid, 1-benzyl-5-ethyl-5-isopentyl-
The XLogP value of 3.9 indicates that Barbituric acid, 1-benzyl-5-ethyl-5-isopentyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 1-benzyl-5-ethyl-5-isopentyl-. Following Lipinski's Rule of Five, Barbituric acid, 1-benzyl-5-ethyl-5-isopentyl- 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 Barbituric acid, 1-benzyl-5-ethyl-5-isopentyl-?
The CAS number of Barbituric acid, 1-benzyl-5-ethyl-5-isopentyl- is 73680-98-5.
What is the molecular formula of Barbituric acid, 1-benzyl-5-ethyl-5-isopentyl-?
The molecular formula of Barbituric acid, 1-benzyl-5-ethyl-5-isopentyl- is C18H24N2O3.
What is the molecular weight of Barbituric acid, 1-benzyl-5-ethyl-5-isopentyl-?
The molecular weight of Barbituric acid, 1-benzyl-5-ethyl-5-isopentyl- is 316.18 g/mol.
Where can I buy Barbituric acid, 1-benzyl-5-ethyl-5-isopentyl-?
You can request a quote for Barbituric acid, 1-benzyl-5-ethyl-5-isopentyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Barbituric acid, 1-benzyl-5-ethyl-5-isopentyl-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 1-benzyl-5-ethyl-5-isopentyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.