Barbituric acid, 5-allyl-5-(m-chlorophenyl)-
TL;DR: Barbituric acid, 5-allyl-5-(m-chlorophenyl)- (CAS 93308-13-5) 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-(3-chlorophenyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Also Known As: 5-Allyl-5-(m-chlorophenyl)barbituric acid, Acido 5-allil 5-(m-clorofenil)barbiturico, BARBITURIC ACID, 5-ALLYL-5-(m-CHLOROPHENYL)-, Acido 5-allil 5-(m-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 | 93308-13-5 |
|---|---|
| SMILES | C=CCC1(C(=O)NC(=O)NC1=O)C2=CC(=CC=C2)Cl |
| InChIKey | MHCPAGSEZVDVCU-UHFFFAOYSA-N |
Product Overview
Barbituric acid, 5-allyl-5-(m-chlorophenyl)- (CAS 93308-13-5), with molecular formula C13H11ClN2O3 and molecular weight 278.05 g/mol. IUPAC: 5-(3-chlorophenyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Barbituric acid, 5-allyl-5-(m-chlorophenyl)-
Property Insights of Barbituric acid, 5-allyl-5-(m-chlorophenyl)-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 5-allyl-5-(m-chlorophenyl)-. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 5-allyl-5-(m-chlorophenyl)-. Following Lipinski's Rule of Five, Barbituric acid, 5-allyl-5-(m-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-(m-chlorophenyl)-?
The CAS number of Barbituric acid, 5-allyl-5-(m-chlorophenyl)- is 93308-13-5.
What is the molecular formula of Barbituric acid, 5-allyl-5-(m-chlorophenyl)-?
The molecular formula of Barbituric acid, 5-allyl-5-(m-chlorophenyl)- is C13H11ClN2O3.
What is the molecular weight of Barbituric acid, 5-allyl-5-(m-chlorophenyl)-?
The molecular weight of Barbituric acid, 5-allyl-5-(m-chlorophenyl)- is 278.05 g/mol.
Where can I buy Barbituric acid, 5-allyl-5-(m-chlorophenyl)-?
You can request a quote for Barbituric acid, 5-allyl-5-(m-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-(m-chlorophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Barbituric acid, 5-allyl-5-(m-chlorophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.