1-butyl-3-(3-chloropropyl)-5-(2-furylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione
TL;DR: 1-butyl-3-(3-chloropropyl)-5-(2-furylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 353282-36-7) is a chemical compound with molecular formula C16H19ClN2O4 and molecular weight 338.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-1-butyl-3-(3-chloropropyl)-5-(furan-2-ylmethylidene)-1,3-diazinane-2,4,6-trione
Also Known As: 1-butyl-3-(3-chloropropyl)-5-(2-furylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione, AJ-030/12105582, (5Z)-1-butyl-3-(3-chloropropyl)-5-(furan-2-ylmethylidene)-1,3-diazinane-2,4,6-trione
| Molecular Formula | C16H19ClN2O4 |
|---|---|
| Molecular Weight | 338.10 g/mol |
| LogP | 2.8828 |
| Topological Polar Surface Area | 70.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 338.10333 |
| Heavy Atoms | 23 |
| Complexity | 577.60626 |
Chemical Identifiers
| CAS Number | 353282-36-7 |
|---|---|
| SMILES | CCCCN1C(=O)/C(=C/C2=CC=CO2)/C(=O)N(C1=O)CCCCl |
Product Overview
1-butyl-3-(3-chloropropyl)-5-(2-furylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 353282-36-7), with molecular formula C16H19ClN2O4 and molecular weight 338.10 g/mol. IUPAC: (5Z)-1-butyl-3-(3-chloropropyl)-5-(furan-2-ylmethylidene)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 1-butyl-3-(3-chloropropyl)-5-(2-furylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione
Property Insights of 1-butyl-3-(3-chloropropyl)-5-(2-furylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione
The XLogP value of 2.8828 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-butyl-3-(3-chloropropyl)-5-(2-furylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione. The TPSA of 70.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-butyl-3-(3-chloropropyl)-5-(2-furylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione. Following Lipinski's Rule of Five, 1-butyl-3-(3-chloropropyl)-5-(2-furylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione has 0 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-butyl-3-(3-chloropropyl)-5-(2-furylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione?
The CAS number of 1-butyl-3-(3-chloropropyl)-5-(2-furylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione is 353282-36-7.
What is the molecular formula of 1-butyl-3-(3-chloropropyl)-5-(2-furylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione?
The molecular formula of 1-butyl-3-(3-chloropropyl)-5-(2-furylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione is C16H19ClN2O4.
What is the molecular weight of 1-butyl-3-(3-chloropropyl)-5-(2-furylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione?
The molecular weight of 1-butyl-3-(3-chloropropyl)-5-(2-furylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione is 338.10 g/mol.
Where can I buy 1-butyl-3-(3-chloropropyl)-5-(2-furylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione?
You can request a quote for 1-butyl-3-(3-chloropropyl)-5-(2-furylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-butyl-3-(3-chloropropyl)-5-(2-furylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione?
Yes, KEHONG BIO provides custom synthesis services for 1-butyl-3-(3-chloropropyl)-5-(2-furylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.