![1,3-dimethyl-5-[1-(4-propan-2-ylanilino)ethylidene]-1,3-diazinane-2,4,6-trione structure](/static/products/577/577999-46-3.png)
1,3-dimethyl-5-[1-(4-propan-2-ylanilino)ethylidene]-1,3-diazinane-2,4,6-trione
TL;DR: 1,3-dimethyl-5-[1-(4-propan-2-ylanilino)ethylidene]-1,3-diazinane-2,4,6-trione (CAS 577999-46-3) is a chemical compound with molecular formula C17H21N3O3 and molecular weight 315.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-1,3-dimethyl-5-[C-methyl-N-(4-propan-2-ylphenyl)carbonimidoyl]pyrimidine-2,4-dione
Also Known As: 1,3-dimethyl-5-[1-(4-propan-2-ylanilino)ethylidene]-1,3-diazinane-2,4,6-trione, 5-(1-((4-isopropylphenyl)amino)ethylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione, 6-hydroxy-1,3-dimethyl-5-{(1E)-N-[4-(propan-2-yl)phenyl]ethanimidoyl}pyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C17H21N3O3 |
|---|---|
| Molecular Weight | 315.16 g/mol |
| LogP | 2.0537 |
| Topological Polar Surface Area | 76.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.1583 |
| Heavy Atoms | 23 |
| Complexity | 871.6822 |
Chemical Identifiers
| CAS Number | 577999-46-3 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)N=C(C)C2=C(N(C(=O)N(C2=O)C)C)O |
Product Overview
1,3-dimethyl-5-[1-(4-propan-2-ylanilino)ethylidene]-1,3-diazinane-2,4,6-trione (CAS 577999-46-3), with molecular formula C17H21N3O3 and molecular weight 315.16 g/mol. IUPAC: 6-hydroxy-1,3-dimethyl-5-[C-methyl-N-(4-propan-2-ylphenyl)carbonimidoyl]pyrimidine-2,4-dione.
Chemical Property Profile of 1,3-dimethyl-5-[1-(4-propan-2-ylanilino)ethylidene]-1,3-diazinane-2,4,6-trione
Property Insights of 1,3-dimethyl-5-[1-(4-propan-2-ylanilino)ethylidene]-1,3-diazinane-2,4,6-trione
The XLogP value of 2.0537 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-dimethyl-5-[1-(4-propan-2-ylanilino)ethylidene]-1,3-diazinane-2,4,6-trione. The TPSA of 76.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-dimethyl-5-[1-(4-propan-2-ylanilino)ethylidene]-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, 1,3-dimethyl-5-[1-(4-propan-2-ylanilino)ethylidene]-1,3-diazinane-2,4,6-trione has 1 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 1,3-dimethyl-5-[1-(4-propan-2-ylanilino)ethylidene]-1,3-diazinane-2,4,6-trione?
The CAS number of 1,3-dimethyl-5-[1-(4-propan-2-ylanilino)ethylidene]-1,3-diazinane-2,4,6-trione is 577999-46-3.
What is the molecular formula of 1,3-dimethyl-5-[1-(4-propan-2-ylanilino)ethylidene]-1,3-diazinane-2,4,6-trione?
The molecular formula of 1,3-dimethyl-5-[1-(4-propan-2-ylanilino)ethylidene]-1,3-diazinane-2,4,6-trione is C17H21N3O3.
What is the molecular weight of 1,3-dimethyl-5-[1-(4-propan-2-ylanilino)ethylidene]-1,3-diazinane-2,4,6-trione?
The molecular weight of 1,3-dimethyl-5-[1-(4-propan-2-ylanilino)ethylidene]-1,3-diazinane-2,4,6-trione is 315.16 g/mol.
Where can I buy 1,3-dimethyl-5-[1-(4-propan-2-ylanilino)ethylidene]-1,3-diazinane-2,4,6-trione?
You can request a quote for 1,3-dimethyl-5-[1-(4-propan-2-ylanilino)ethylidene]-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-[1-(4-propan-2-ylanilino)ethylidene]-1,3-diazinane-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dimethyl-5-[1-(4-propan-2-ylanilino)ethylidene]-1,3-diazinane-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.