1,3-Dimethyl-5-(phenylmethylidene)-1,3-diazinane-2,4,6-trione
TL;DR: 1,3-Dimethyl-5-(phenylmethylidene)-1,3-diazinane-2,4,6-trione (CAS 54459-73-3) 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.
5-benzylidene-1,3-dimethyl-1,3-diazinane-2,4,6-trione
Also Known As: TimTec1_005062, 1,3-dimethyl-5-(phenylmethylidene)-1,3-diazinane-2,4,6-trione, UPCMLD0ENAT5856804:001, 5-benzylidene-1,3-dimethyl-1,3-diazinane-2,4,6-trione, 1,3-dimethyl-5-benzylidenebarbituric acid
| Molecular Formula | C13H12N2O3 |
|---|---|
| Molecular Weight | 244.08 g/mol |
| LogP | 1.1204 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.0848 |
| Heavy Atoms | 18 |
| Complexity | 522.6146 |
Chemical Identifiers
| CAS Number | 54459-73-3 |
|---|---|
| SMILES | CN1C(=O)C(=CC2=CC=CC=C2)C(=O)N(C1=O)C |
Product Overview
1,3-Dimethyl-5-(phenylmethylidene)-1,3-diazinane-2,4,6-trione (CAS 54459-73-3), with molecular formula C13H12N2O3 and molecular weight 244.08 g/mol. IUPAC: 5-benzylidene-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 1,3-Dimethyl-5-(phenylmethylidene)-1,3-diazinane-2,4,6-trione
Property Insights of 1,3-Dimethyl-5-(phenylmethylidene)-1,3-diazinane-2,4,6-trione
The XLogP value of 1.1204 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethyl-5-(phenylmethylidene)-1,3-diazinane-2,4,6-trione. With a topological polar surface area (TPSA) of 57.69 Ų, 1,3-Dimethyl-5-(phenylmethylidene)-1,3-diazinane-2,4,6-trione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dimethyl-5-(phenylmethylidene)-1,3-diazinane-2,4,6-trione has 0 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 1,3-Dimethyl-5-(phenylmethylidene)-1,3-diazinane-2,4,6-trione?
The CAS number of 1,3-Dimethyl-5-(phenylmethylidene)-1,3-diazinane-2,4,6-trione is 54459-73-3.
What is the molecular formula of 1,3-Dimethyl-5-(phenylmethylidene)-1,3-diazinane-2,4,6-trione?
The molecular formula of 1,3-Dimethyl-5-(phenylmethylidene)-1,3-diazinane-2,4,6-trione is C13H12N2O3.
What is the molecular weight of 1,3-Dimethyl-5-(phenylmethylidene)-1,3-diazinane-2,4,6-trione?
The molecular weight of 1,3-Dimethyl-5-(phenylmethylidene)-1,3-diazinane-2,4,6-trione is 244.08 g/mol.
Where can I buy 1,3-Dimethyl-5-(phenylmethylidene)-1,3-diazinane-2,4,6-trione?
You can request a quote for 1,3-Dimethyl-5-(phenylmethylidene)-1,3-diazinane-2,4,6-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethyl-5-(phenylmethylidene)-1,3-diazinane-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl-5-(phenylmethylidene)-1,3-diazinane-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.