Barbituric acid, 5-(2-isopentenyl)-5-isopropyl-
TL;DR: Barbituric acid, 5-(2-isopentenyl)-5-isopropyl- (CAS 67051-26-7) is a chemical compound with molecular formula C12H18N2O3 and molecular weight 238.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-methylbut-2-enyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione
Also Known As: 5-(2-Isopentenyl)-5-isopropylbarbituric acid, BARBITURIC ACID, 5-(2-ISOPENTENYL)-5-ISOPROPYL-, 5-Isopropyl-5-(3-methyl-2-butenyl)barbituric acid, 4-24-00-02018 (Beilstein Handbook Reference), 5-i-propyl-5-(3-methylbut-2-enyl)barbiturate
| Molecular Formula | C12H18N2O3 |
|---|---|
| Molecular Weight | 238.13 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.13174 |
| Heavy Atoms | 17 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 67051-26-7 |
|---|---|
| SMILES | CC(C)C1(C(=O)NC(=O)NC1=O)CC=C(C)C |
| InChIKey | ZCDHRBAYNFWZBH-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 5-(2-isopentenyl)-5-isopropyl- (CAS 67051-26-7), with molecular formula C12H18N2O3 and molecular weight 238.13 g/mol. IUPAC: 5-(3-methylbut-2-enyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Barbituric acid, 5-(2-isopentenyl)-5-isopropyl-
Property Insights of Barbituric acid, 5-(2-isopentenyl)-5-isopropyl-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 5-(2-isopentenyl)-5-isopropyl-. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 5-(2-isopentenyl)-5-isopropyl-. Following Lipinski's Rule of Five, Barbituric acid, 5-(2-isopentenyl)-5-isopropyl- has 2 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, 5-(2-isopentenyl)-5-isopropyl-?
The CAS number of Barbituric acid, 5-(2-isopentenyl)-5-isopropyl- is 67051-26-7.
What is the molecular formula of Barbituric acid, 5-(2-isopentenyl)-5-isopropyl-?
The molecular formula of Barbituric acid, 5-(2-isopentenyl)-5-isopropyl- is C12H18N2O3.
What is the molecular weight of Barbituric acid, 5-(2-isopentenyl)-5-isopropyl-?
The molecular weight of Barbituric acid, 5-(2-isopentenyl)-5-isopropyl- is 238.13 g/mol.
Where can I buy Barbituric acid, 5-(2-isopentenyl)-5-isopropyl-?
You can request a quote for Barbituric acid, 5-(2-isopentenyl)-5-isopropyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Barbituric acid, 5-(2-isopentenyl)-5-isopropyl-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 5-(2-isopentenyl)-5-isopropyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.