Barbituric acid, 5-allyl-1-methyl-5-(1-methylbutyl)-
TL;DR: Barbituric acid, 5-allyl-1-methyl-5-(1-methylbutyl)- (CAS 59547-54-5) 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-pentan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Also Known As: 5-Allyl-1-methyl-5-(1-methylbutyl)barbituric acid, 4-24-00-02014 (Beilstein Handbook Reference), BARBITURIC ACID, 5-ALLYL-1-METHYL-5-(1-METHYLBUTYL)-, 1-methyl-5-pentan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione, Urea,N-[4-[2-(1H-indol-3-yl)ethyl]-1-piperazinyl]-N'-phenyl
| Molecular Formula | C13H20N2O3 |
|---|---|
| Molecular Weight | 252.15 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 252.1474 |
| Heavy Atoms | 18 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 59547-54-5 |
|---|---|
| SMILES | CCCC(C)C1(C(=O)NC(=O)N(C1=O)C)CC=C |
| InChIKey | MIBYOIHMKQTMKM-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 5-allyl-1-methyl-5-(1-methylbutyl)- (CAS 59547-54-5), with molecular formula C13H20N2O3 and molecular weight 252.15 g/mol. IUPAC: 1-methyl-5-pentan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Barbituric acid, 5-allyl-1-methyl-5-(1-methylbutyl)-
Property Insights of Barbituric acid, 5-allyl-1-methyl-5-(1-methylbutyl)-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 5-allyl-1-methyl-5-(1-methylbutyl)-. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 5-allyl-1-methyl-5-(1-methylbutyl)-. Following Lipinski's Rule of Five, Barbituric acid, 5-allyl-1-methyl-5-(1-methylbutyl)- 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-allyl-1-methyl-5-(1-methylbutyl)-?
The CAS number of Barbituric acid, 5-allyl-1-methyl-5-(1-methylbutyl)- is 59547-54-5.
What is the molecular formula of Barbituric acid, 5-allyl-1-methyl-5-(1-methylbutyl)-?
The molecular formula of Barbituric acid, 5-allyl-1-methyl-5-(1-methylbutyl)- is C13H20N2O3.
What is the molecular weight of Barbituric acid, 5-allyl-1-methyl-5-(1-methylbutyl)-?
The molecular weight of Barbituric acid, 5-allyl-1-methyl-5-(1-methylbutyl)- is 252.15 g/mol.
Where can I buy Barbituric acid, 5-allyl-1-methyl-5-(1-methylbutyl)-?
You can request a quote for Barbituric acid, 5-allyl-1-methyl-5-(1-methylbutyl)- 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-allyl-1-methyl-5-(1-methylbutyl)-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 5-allyl-1-methyl-5-(1-methylbutyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.