Barbituric acid, 5-(2-isopentenyl)-5-isopropyl-1-methyl-
TL;DR: Barbituric acid, 5-(2-isopentenyl)-5-isopropyl-1-methyl- (CAS 67051-27-8) is a chemical compound with molecular formula C13H20N2O3 and molecular weight 252.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-5-(3-methylbut-2-enyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione
Also Known As: 5- -5-isopropyl-1-methylbarbituricacid, 5-(2-Isopentenyl)-5-isopropyl-1-methylbarbituric acid, 4-24-00-02018 (Beilstein Handbook Reference), BARBITURIC ACID, 5-(2-ISOPENTENYL)-5-ISOPROPYL-1-METHYL-, 5-(3-Methyl-2-butenyl)-5-isopropyl-1-methylbarbituric acid
| Molecular Formula | C13H20N2O3 |
|---|---|
| Molecular Weight | 252.15 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.1474 |
| Heavy Atoms | 18 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 67051-27-8 |
|---|---|
| SMILES | CC(C)C1(C(=O)NC(=O)N(C1=O)C)CC=C(C)C |
| InChIKey | HZKWVKRKHMKCIA-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 5-(2-isopentenyl)-5-isopropyl-1-methyl- (CAS 67051-27-8), with molecular formula C13H20N2O3 and molecular weight 252.15 g/mol. IUPAC: 1-methyl-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-1-methyl-
Property Insights of Barbituric acid, 5-(2-isopentenyl)-5-isopropyl-1-methyl-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 5-(2-isopentenyl)-5-isopropyl-1-methyl-. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 5-(2-isopentenyl)-5-isopropyl-1-methyl-. Following Lipinski's Rule of Five, Barbituric acid, 5-(2-isopentenyl)-5-isopropyl-1-methyl- 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, 5-(2-isopentenyl)-5-isopropyl-1-methyl-?
The CAS number of Barbituric acid, 5-(2-isopentenyl)-5-isopropyl-1-methyl- is 67051-27-8.
What is the molecular formula of Barbituric acid, 5-(2-isopentenyl)-5-isopropyl-1-methyl-?
The molecular formula of Barbituric acid, 5-(2-isopentenyl)-5-isopropyl-1-methyl- is C13H20N2O3.
What is the molecular weight of Barbituric acid, 5-(2-isopentenyl)-5-isopropyl-1-methyl-?
The molecular weight of Barbituric acid, 5-(2-isopentenyl)-5-isopropyl-1-methyl- is 252.15 g/mol.
Where can I buy Barbituric acid, 5-(2-isopentenyl)-5-isopropyl-1-methyl-?
You can request a quote for Barbituric acid, 5-(2-isopentenyl)-5-isopropyl-1-methyl- 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-1-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 5-(2-isopentenyl)-5-isopropyl-1-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.