Barbituric acid, 5-allyl-5-(3-methyl-2-butenyl)-
TL;DR: Barbituric acid, 5-allyl-5-(3-methyl-2-butenyl)- (CAS 99901-13-0) is a chemical compound with molecular formula C12H16N2O3 and molecular weight 236.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-methylbut-2-enyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Also Known As: 5-Allyl-5-(3-methyl-2-butenyl)barbituric acid, BARBITURIC ACID, 5-ALLYL-5-(3-METHYL-2-BUTENYL)-, 5-(3-methylbut-2-enyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione, 5-(3-methylbut-2-en-1-yl)-5-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione, 5-Allyl-5-(3-methyl-2-butenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
| Molecular Formula | C12H16N2O3 |
|---|---|
| Molecular Weight | 236.12 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.11609 |
| Heavy Atoms | 17 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 99901-13-0 |
|---|---|
| SMILES | CC(=CCC1(C(=O)NC(=O)NC1=O)CC=C)C |
| InChIKey | BNOBTNJZZKICRW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Barbituric acid, 5-allyl-5-(3-methyl-2-butenyl)- (CAS 99901-13-0), with molecular formula C12H16N2O3 and molecular weight 236.12 g/mol. IUPAC: 5-(3-methylbut-2-enyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Barbituric acid, 5-allyl-5-(3-methyl-2-butenyl)-
Property Insights of Barbituric acid, 5-allyl-5-(3-methyl-2-butenyl)-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 5-allyl-5-(3-methyl-2-butenyl)-. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 5-allyl-5-(3-methyl-2-butenyl)-. Following Lipinski's Rule of Five, Barbituric acid, 5-allyl-5-(3-methyl-2-butenyl)- 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-allyl-5-(3-methyl-2-butenyl)-?
The CAS number of Barbituric acid, 5-allyl-5-(3-methyl-2-butenyl)- is 99901-13-0.
What is the molecular formula of Barbituric acid, 5-allyl-5-(3-methyl-2-butenyl)-?
The molecular formula of Barbituric acid, 5-allyl-5-(3-methyl-2-butenyl)- is C12H16N2O3.
What is the molecular weight of Barbituric acid, 5-allyl-5-(3-methyl-2-butenyl)-?
The molecular weight of Barbituric acid, 5-allyl-5-(3-methyl-2-butenyl)- is 236.12 g/mol.
Where can I buy Barbituric acid, 5-allyl-5-(3-methyl-2-butenyl)-?
You can request a quote for Barbituric acid, 5-allyl-5-(3-methyl-2-butenyl)- 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-5-(3-methyl-2-butenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 5-allyl-5-(3-methyl-2-butenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.