苯烯巴比妥
TL;DR: 苯烯巴比妥 (CAS 115-43-5) is a chemical compound with molecular formula C13H12N2O3 and molecular weight 244.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯烯巴比妥
5-phenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Also Known As: Phenallymal, Alphenal, Phenallymalum, Fenallymal, Allofenyl
| Molecular Formula | C13H12N2O3 |
|---|---|
| Molecular Weight | 244.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.0848 |
| Heavy Atoms | 18 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 115-43-5 |
|---|---|
| SMILES | C=CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2 |
| InChIKey | WOIGZSBYKGQJGL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯烯巴比妥 (CAS 115-43-5), with molecular formula C13H12N2O3 and molecular weight 244.08 g/mol. IUPAC: 5-phenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 苯烯巴比妥
Property Insights of 苯烯巴比妥
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯烯巴比妥. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 苯烯巴比妥. Following Lipinski's Rule of Five, 苯烯巴比妥 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 苯烯巴比妥?
The CAS number of 苯烯巴比妥 is 115-43-5.
What is the molecular formula of 苯烯巴比妥?
The molecular formula of 苯烯巴比妥 is C13H12N2O3.
What is the molecular weight of 苯烯巴比妥?
The molecular weight of 苯烯巴比妥 is 244.08 g/mol.
Where can I buy 苯烯巴比妥?
You can request a quote for 苯烯巴比妥 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯烯巴比妥?
Yes, KEHONG BIO provides custom synthesis services for 苯烯巴比妥 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.