![1-(4-chlorophenyl)-5-[(2-methylbutylamino)methylidene]-1,3-diazinane-2,4,6-trione structure](/static/products/714/714228-12-3.png)
1-(4-chlorophenyl)-5-[(2-methylbutylamino)methylidene]-1,3-diazinane-2,4,6-trione
TL;DR: 1-(4-chlorophenyl)-5-[(2-methylbutylamino)methylidene]-1,3-diazinane-2,4,6-trione (CAS 714228-12-3) is a chemical compound with molecular formula C16H18ClN3O3 and molecular weight 335.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-6-hydroxy-5-(2-methylbutyliminomethyl)pyrimidine-2,4-dione
Also Known As: 1-(4-chlorophenyl)-5-[(2-methylbutylamino)methylidene]-1,3-diazinane-2,4,6-trione, (5Z)-3-(4-chlorophenyl)-6-hydroxy-5-{[(2-methylbutyl)amino]methylidene}pyrimidine-2,4(3H,5H)-dione, (Z)-1-(4-chlorophenyl)-5-(((2-methylbutyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C16H18ClN3O3 |
|---|---|
| Molecular Weight | 335.10 g/mol |
| LogP | 2.3498 |
| Topological Polar Surface Area | 87.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.10367 |
| Heavy Atoms | 23 |
| Complexity | 821.9446 |
Chemical Identifiers
| CAS Number | 714228-12-3 |
|---|---|
| SMILES | CCC(C)CN=CC1=C(N(C(=O)NC1=O)C2=CC=C(C=C2)Cl)O |
Product Overview
1-(4-chlorophenyl)-5-[(2-methylbutylamino)methylidene]-1,3-diazinane-2,4,6-trione (CAS 714228-12-3), with molecular formula C16H18ClN3O3 and molecular weight 335.10 g/mol. IUPAC: 1-(4-chlorophenyl)-6-hydroxy-5-(2-methylbutyliminomethyl)pyrimidine-2,4-dione.
Chemical Property Profile of 1-(4-chlorophenyl)-5-[(2-methylbutylamino)methylidene]-1,3-diazinane-2,4,6-trione
Property Insights of 1-(4-chlorophenyl)-5-[(2-methylbutylamino)methylidene]-1,3-diazinane-2,4,6-trione
The XLogP value of 2.3498 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-chlorophenyl)-5-[(2-methylbutylamino)methylidene]-1,3-diazinane-2,4,6-trione. The TPSA of 87.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-chlorophenyl)-5-[(2-methylbutylamino)methylidene]-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, 1-(4-chlorophenyl)-5-[(2-methylbutylamino)methylidene]-1,3-diazinane-2,4,6-trione has 2 hydrogen bond donor(s) and 4 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-(4-chlorophenyl)-5-[(2-methylbutylamino)methylidene]-1,3-diazinane-2,4,6-trione?
The CAS number of 1-(4-chlorophenyl)-5-[(2-methylbutylamino)methylidene]-1,3-diazinane-2,4,6-trione is 714228-12-3.
What is the molecular formula of 1-(4-chlorophenyl)-5-[(2-methylbutylamino)methylidene]-1,3-diazinane-2,4,6-trione?
The molecular formula of 1-(4-chlorophenyl)-5-[(2-methylbutylamino)methylidene]-1,3-diazinane-2,4,6-trione is C16H18ClN3O3.
What is the molecular weight of 1-(4-chlorophenyl)-5-[(2-methylbutylamino)methylidene]-1,3-diazinane-2,4,6-trione?
The molecular weight of 1-(4-chlorophenyl)-5-[(2-methylbutylamino)methylidene]-1,3-diazinane-2,4,6-trione is 335.10 g/mol.
Where can I buy 1-(4-chlorophenyl)-5-[(2-methylbutylamino)methylidene]-1,3-diazinane-2,4,6-trione?
You can request a quote for 1-(4-chlorophenyl)-5-[(2-methylbutylamino)methylidene]-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-(4-chlorophenyl)-5-[(2-methylbutylamino)methylidene]-1,3-diazinane-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-chlorophenyl)-5-[(2-methylbutylamino)methylidene]-1,3-diazinane-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.