Barbituric acid, 5-allyl-5-(2-hydroxyallyl)-
TL;DR: Barbituric acid, 5-allyl-5-(2-hydroxyallyl)- (CAS 99901-12-9) is a chemical compound with molecular formula C10H12N2O4 and molecular weight 224.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-hydroxyprop-2-enyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Also Known As: BARBITURIC ACID, 5-ALLYL-5-(2-HYDROXYALLYL)-, 5-Allyl-5-(beta-hydroxyallyl)barbiturique, 5-Allyl-5-(beta-hydroxyallyl)barbiturique [French], 5-Allyl-5-(2-hydroxyallyl)barbituric acid, Acide 5-allyl-5-(beta-hydroxyallyl)barbiturique
| Molecular Formula | C10H12N2O4 |
|---|---|
| Molecular Weight | 224.08 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.07971 |
| Heavy Atoms | 16 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 99901-12-9 |
|---|---|
| SMILES | C=CCC1(C(=O)NC(=O)NC1=O)CC(=C)O |
| InChIKey | LJPPEXPOPSQRGX-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 5-allyl-5-(2-hydroxyallyl)- (CAS 99901-12-9), with molecular formula C10H12N2O4 and molecular weight 224.08 g/mol. IUPAC: 5-(2-hydroxyprop-2-enyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Barbituric acid, 5-allyl-5-(2-hydroxyallyl)-
Property Insights of Barbituric acid, 5-allyl-5-(2-hydroxyallyl)-
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 5-allyl-5-(2-hydroxyallyl)-. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 5-allyl-5-(2-hydroxyallyl)-. Following Lipinski's Rule of Five, Barbituric acid, 5-allyl-5-(2-hydroxyallyl)- has 3 hydrogen bond donor(s) and 4 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-(2-hydroxyallyl)-?
The CAS number of Barbituric acid, 5-allyl-5-(2-hydroxyallyl)- is 99901-12-9.
What is the molecular formula of Barbituric acid, 5-allyl-5-(2-hydroxyallyl)-?
The molecular formula of Barbituric acid, 5-allyl-5-(2-hydroxyallyl)- is C10H12N2O4.
What is the molecular weight of Barbituric acid, 5-allyl-5-(2-hydroxyallyl)-?
The molecular weight of Barbituric acid, 5-allyl-5-(2-hydroxyallyl)- is 224.08 g/mol.
Where can I buy Barbituric acid, 5-allyl-5-(2-hydroxyallyl)-?
You can request a quote for Barbituric acid, 5-allyl-5-(2-hydroxyallyl)- 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-(2-hydroxyallyl)-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 5-allyl-5-(2-hydroxyallyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.