BARBITURIC ACID, 5-ALLYL-5-(p-BROMOPHENYL)-
TL;DR: BARBITURIC ACID, 5-ALLYL-5-(p-BROMOPHENYL)- (CAS 92022-33-8) is a chemical compound with molecular formula C13H11BrN2O3 and molecular weight 322.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-bromophenyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Also Known As: 5-Allyl-5-(p-bromophenyl)barbituric acid, BARBITURIC ACID, 5-ALLYL-5-(p-BROMOPHENYL)-, Acido 5-allil-5-(p-bromofenil)barbiturico, Acido 5-allil-5-(p-bromofenil)barbiturico [Italian], 5-24-09-00335 (Beilstein Handbook Reference)
| Molecular Formula | C13H11BrN2O3 |
|---|---|
| Molecular Weight | 322.00 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.9953 |
| Heavy Atoms | 19 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 92022-33-8 |
|---|---|
| SMILES | C=CCC1(C(=O)NC(=O)NC1=O)C2=CC=C(C=C2)Br |
| InChIKey | AYVQUWQZFPQYIL-UHFFFAOYSA-N |
Product Overview
BARBITURIC ACID, 5-ALLYL-5-(p-BROMOPHENYL)- (CAS 92022-33-8), with molecular formula C13H11BrN2O3 and molecular weight 322.00 g/mol. IUPAC: 5-(4-bromophenyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of BARBITURIC ACID, 5-ALLYL-5-(p-BROMOPHENYL)-
Property Insights of BARBITURIC ACID, 5-ALLYL-5-(p-BROMOPHENYL)-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BARBITURIC ACID, 5-ALLYL-5-(p-BROMOPHENYL)-. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for BARBITURIC ACID, 5-ALLYL-5-(p-BROMOPHENYL)-. Following Lipinski's Rule of Five, BARBITURIC ACID, 5-ALLYL-5-(p-BROMOPHENYL)- 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-(p-BROMOPHENYL)-?
The CAS number of BARBITURIC ACID, 5-ALLYL-5-(p-BROMOPHENYL)- is 92022-33-8.
What is the molecular formula of BARBITURIC ACID, 5-ALLYL-5-(p-BROMOPHENYL)-?
The molecular formula of BARBITURIC ACID, 5-ALLYL-5-(p-BROMOPHENYL)- is C13H11BrN2O3.
What is the molecular weight of BARBITURIC ACID, 5-ALLYL-5-(p-BROMOPHENYL)-?
The molecular weight of BARBITURIC ACID, 5-ALLYL-5-(p-BROMOPHENYL)- is 322.00 g/mol.
Where can I buy BARBITURIC ACID, 5-ALLYL-5-(p-BROMOPHENYL)-?
You can request a quote for BARBITURIC ACID, 5-ALLYL-5-(p-BROMOPHENYL)- 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-(p-BROMOPHENYL)-?
Yes, KEHONG BIO provides custom synthesis services for BARBITURIC ACID, 5-ALLYL-5-(p-BROMOPHENYL)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.