BARBITURIC ACID, 5-ALLYL-5-(o-CHLOROPHENYL)-
TL;DR: BARBITURIC ACID, 5-ALLYL-5-(o-CHLOROPHENYL)- (CAS 92022-97-4) is a chemical compound with molecular formula C13H11ClN2O3 and molecular weight 278.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-chlorophenyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Also Known As: 5-Allyl-5-(o-chlorophenyl)barbituric acid, BARBITURIC ACID, 5-ALLYL-5-(o-CHLOROPHENYL)-, Acido 5-allil-5-(o-clorofenil)barbiturico, Acido 5-allil-5-(o-clorofenil)barbiturico [Italian], 5-24-09-00335 (Beilstein Handbook Reference)
| Molecular Formula | C13H11ClN2O3 |
|---|---|
| Molecular Weight | 278.05 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.0458 |
| Heavy Atoms | 19 |
| Complexity | 416.0 |
Chemical Identifiers
| CAS Number | 92022-97-4 |
|---|---|
| SMILES | C=CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2Cl |
| InChIKey | IMDKGLPGIKCDQD-UHFFFAOYSA-N |
Product Overview
BARBITURIC ACID, 5-ALLYL-5-(o-CHLOROPHENYL)- (CAS 92022-97-4), with molecular formula C13H11ClN2O3 and molecular weight 278.05 g/mol. IUPAC: 5-(2-chlorophenyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of BARBITURIC ACID, 5-ALLYL-5-(o-CHLOROPHENYL)-
Property Insights of BARBITURIC ACID, 5-ALLYL-5-(o-CHLOROPHENYL)-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BARBITURIC ACID, 5-ALLYL-5-(o-CHLOROPHENYL)-. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for BARBITURIC ACID, 5-ALLYL-5-(o-CHLOROPHENYL)-. Following Lipinski's Rule of Five, BARBITURIC ACID, 5-ALLYL-5-(o-CHLOROPHENYL)- 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-(o-CHLOROPHENYL)-?
The CAS number of BARBITURIC ACID, 5-ALLYL-5-(o-CHLOROPHENYL)- is 92022-97-4.
What is the molecular formula of BARBITURIC ACID, 5-ALLYL-5-(o-CHLOROPHENYL)-?
The molecular formula of BARBITURIC ACID, 5-ALLYL-5-(o-CHLOROPHENYL)- is C13H11ClN2O3.
What is the molecular weight of BARBITURIC ACID, 5-ALLYL-5-(o-CHLOROPHENYL)-?
The molecular weight of BARBITURIC ACID, 5-ALLYL-5-(o-CHLOROPHENYL)- is 278.05 g/mol.
Where can I buy BARBITURIC ACID, 5-ALLYL-5-(o-CHLOROPHENYL)-?
You can request a quote for BARBITURIC ACID, 5-ALLYL-5-(o-CHLOROPHENYL)- 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-(o-CHLOROPHENYL)-?
Yes, KEHONG BIO provides custom synthesis services for BARBITURIC ACID, 5-ALLYL-5-(o-CHLOROPHENYL)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.