(5E)-3-tert-butyl-6-hydroxy-5-(4-methoxybenzylidene)pyrimidine-2,4(3H,5H)-dione
TL;DR: (5E)-3-tert-butyl-6-hydroxy-5-(4-methoxybenzylidene)pyrimidine-2,4(3H,5H)-dione (CAS 313231-94-6) is a chemical compound with molecular formula C16H18N2O4 and molecular weight 302.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-1-tert-butyl-5-[(4-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: (5E)-1-tert-butyl-5-[(4-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione, (5E)-3-tert-butyl-6-hydroxy-5-(4-methoxybenzylidene)pyrimidine-2,4(3H,5H)-dione, (E)-1-(tert-butyl)-5-(4-methoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C16H18N2O4 |
|---|---|
| Molecular Weight | 302.13 g/mol |
| LogP | 1.9555 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 302.12665 |
| Heavy Atoms | 22 |
| Complexity | 653.7185 |
Chemical Identifiers
| CAS Number | 313231-94-6 |
|---|---|
| SMILES | CC(C)(C)N1C(=O)/C(=C/C2=CC=C(C=C2)OC)/C(=O)NC1=O |
Product Overview
(5E)-3-tert-butyl-6-hydroxy-5-(4-methoxybenzylidene)pyrimidine-2,4(3H,5H)-dione (CAS 313231-94-6), with molecular formula C16H18N2O4 and molecular weight 302.13 g/mol. IUPAC: (5E)-1-tert-butyl-5-[(4-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of (5E)-3-tert-butyl-6-hydroxy-5-(4-methoxybenzylidene)pyrimidine-2,4(3H,5H)-dione
Property Insights of (5E)-3-tert-butyl-6-hydroxy-5-(4-methoxybenzylidene)pyrimidine-2,4(3H,5H)-dione
The XLogP value of 1.9555 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-3-tert-butyl-6-hydroxy-5-(4-methoxybenzylidene)pyrimidine-2,4(3H,5H)-dione. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-3-tert-butyl-6-hydroxy-5-(4-methoxybenzylidene)pyrimidine-2,4(3H,5H)-dione. Following Lipinski's Rule of Five, (5E)-3-tert-butyl-6-hydroxy-5-(4-methoxybenzylidene)pyrimidine-2,4(3H,5H)-dione 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 (5E)-3-tert-butyl-6-hydroxy-5-(4-methoxybenzylidene)pyrimidine-2,4(3H,5H)-dione?
The CAS number of (5E)-3-tert-butyl-6-hydroxy-5-(4-methoxybenzylidene)pyrimidine-2,4(3H,5H)-dione is 313231-94-6.
What is the molecular formula of (5E)-3-tert-butyl-6-hydroxy-5-(4-methoxybenzylidene)pyrimidine-2,4(3H,5H)-dione?
The molecular formula of (5E)-3-tert-butyl-6-hydroxy-5-(4-methoxybenzylidene)pyrimidine-2,4(3H,5H)-dione is C16H18N2O4.
What is the molecular weight of (5E)-3-tert-butyl-6-hydroxy-5-(4-methoxybenzylidene)pyrimidine-2,4(3H,5H)-dione?
The molecular weight of (5E)-3-tert-butyl-6-hydroxy-5-(4-methoxybenzylidene)pyrimidine-2,4(3H,5H)-dione is 302.13 g/mol.
Where can I buy (5E)-3-tert-butyl-6-hydroxy-5-(4-methoxybenzylidene)pyrimidine-2,4(3H,5H)-dione?
You can request a quote for (5E)-3-tert-butyl-6-hydroxy-5-(4-methoxybenzylidene)pyrimidine-2,4(3H,5H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5E)-3-tert-butyl-6-hydroxy-5-(4-methoxybenzylidene)pyrimidine-2,4(3H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-3-tert-butyl-6-hydroxy-5-(4-methoxybenzylidene)pyrimidine-2,4(3H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.