![(5Z)-1-butyl-5-[[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)amino]methylidene]-1,3-diazinane-2,4,6-trione structure](/static/products/116/1166836-23-2.png)
(5Z)-1-butyl-5-[[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)amino]methylidene]-1,3-diazinane-2,4,6-trione
TL;DR: (5Z)-1-butyl-5-[[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)amino]methylidene]-1,3-diazinane-2,4,6-trione (CAS 1166836-23-2) is a chemical compound with molecular formula C19H29N3O3 and molecular weight 347.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-6-hydroxy-5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)iminomethyl]pyrimidine-2,4-dione
Also Known As: (5Z)-1-butyl-5-[[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)amino]methylidene]-1,3-diazinane-2,4,6-trione, (5Z)-3-butyl-6-hydroxy-5-{[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)amino]methylidene}pyrimidine-2,4(3H,5H)-dione, (Z)-1-butyl-5-(((1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione, 1-butyl-5-[[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)amino]methylidene]-1,3-diazinane-2,4,6-trione
| Molecular Formula | C19H29N3O3 |
|---|---|
| Molecular Weight | 347.22 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 82.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.2209 |
| Heavy Atoms | 25 |
| Complexity | 652.0 |
Chemical Identifiers
| CAS Number | 1166836-23-2 |
|---|---|
| SMILES | CCCCN1C(=C(C(=O)NC1=O)C=NC2CC3CCC2(C3(C)C)C)O |
| InChIKey | SRQUQPFUZWMAIY-UHFFFAOYSA-N |
Product Overview
(5Z)-1-butyl-5-[[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)amino]methylidene]-1,3-diazinane-2,4,6-trione (CAS 1166836-23-2), with molecular formula C19H29N3O3 and molecular weight 347.22 g/mol. IUPAC: 1-butyl-6-hydroxy-5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)iminomethyl]pyrimidine-2,4-dione.
Chemical Property Profile of (5Z)-1-butyl-5-[[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)amino]methylidene]-1,3-diazinane-2,4,6-trione
Property Insights of (5Z)-1-butyl-5-[[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)amino]methylidene]-1,3-diazinane-2,4,6-trione
The XLogP value of 3.0 indicates that (5Z)-1-butyl-5-[[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)amino]methylidene]-1,3-diazinane-2,4,6-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-1-butyl-5-[[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)amino]methylidene]-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, (5Z)-1-butyl-5-[[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)amino]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 (5Z)-1-butyl-5-[[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)amino]methylidene]-1,3-diazinane-2,4,6-trione?
The CAS number of (5Z)-1-butyl-5-[[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)amino]methylidene]-1,3-diazinane-2,4,6-trione is 1166836-23-2.
What is the molecular formula of (5Z)-1-butyl-5-[[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)amino]methylidene]-1,3-diazinane-2,4,6-trione?
The molecular formula of (5Z)-1-butyl-5-[[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)amino]methylidene]-1,3-diazinane-2,4,6-trione is C19H29N3O3.
What is the molecular weight of (5Z)-1-butyl-5-[[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)amino]methylidene]-1,3-diazinane-2,4,6-trione?
The molecular weight of (5Z)-1-butyl-5-[[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)amino]methylidene]-1,3-diazinane-2,4,6-trione is 347.22 g/mol.
Where can I buy (5Z)-1-butyl-5-[[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)amino]methylidene]-1,3-diazinane-2,4,6-trione?
You can request a quote for (5Z)-1-butyl-5-[[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)amino]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 (5Z)-1-butyl-5-[[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)amino]methylidene]-1,3-diazinane-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for (5Z)-1-butyl-5-[[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)amino]methylidene]-1,3-diazinane-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.