![5-[(3,4-Dimethoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione structure](/static/products/5773/57737-42-5.webp)
5-[(3,4-Dimethoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
TL;DR: 5-[(3,4-Dimethoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione (CAS 57737-42-5) is a chemical compound with molecular formula C13H14N2O5 and molecular weight 278.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3,4-dimethoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
Also Known As: (+-)-4-(2-Amino-propyl)-anilin, NCI60_030693, 5-(3',4'-Dimethoxy)benzylbarbituric Acid, 5-[(3,4-dimethoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione, 5-[(3,4-dimethoxyphenyl)methyl]hexahydropyrimidine-2,4,6-trione
| Molecular Formula | C13H14N2O5 |
|---|---|
| Molecular Weight | 278.09 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 93.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.09027 |
| Heavy Atoms | 20 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 57737-42-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC2C(=O)NC(=O)NC2=O)OC |
| InChIKey | JRFQBCPZBQLZJO-UHFFFAOYSA-N |
Product Overview
5-[(3,4-Dimethoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione (CAS 57737-42-5), with molecular formula C13H14N2O5 and molecular weight 278.09 g/mol. IUPAC: 5-[(3,4-dimethoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-[(3,4-Dimethoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
Property Insights of 5-[(3,4-Dimethoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(3,4-Dimethoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione. The TPSA of 93.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(3,4-Dimethoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, 5-[(3,4-Dimethoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione has 2 hydrogen bond donor(s) and 5 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 5-[(3,4-Dimethoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione?
The CAS number of 5-[(3,4-Dimethoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione is 57737-42-5.
What is the molecular formula of 5-[(3,4-Dimethoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione?
The molecular formula of 5-[(3,4-Dimethoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione is C13H14N2O5.
What is the molecular weight of 5-[(3,4-Dimethoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione?
The molecular weight of 5-[(3,4-Dimethoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione is 278.09 g/mol.
Where can I buy 5-[(3,4-Dimethoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione?
You can request a quote for 5-[(3,4-Dimethoxyphenyl)methyl]-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 5-[(3,4-Dimethoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for 5-[(3,4-Dimethoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.