1-(2-Chloroethyl)-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)urea
TL;DR: 1-(2-Chloroethyl)-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)urea (CAS 14945-17-6) is a chemical compound with molecular formula C7H9ClN4O3 and molecular weight 232.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea
Also Known As: 3-Chlor-6-phenoxy-pyridazin, KST-1B0573, 1-(2-chloroethyl)-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)urea, 1-(2-chloroethyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea, N-(2-Chloroethyl)-N'-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)urea
| Molecular Formula | C7H9ClN4O3 |
|---|---|
| Molecular Weight | 232.04 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 99.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.03632 |
| Heavy Atoms | 15 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 14945-17-6 |
|---|---|
| SMILES | C1=C(C(=O)NC(=O)N1)NC(=O)NCCCl |
| InChIKey | WAOBSHPCWXVKDJ-UHFFFAOYSA-N |
Product Overview
1-(2-Chloroethyl)-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)urea (CAS 14945-17-6), with molecular formula C7H9ClN4O3 and molecular weight 232.04 g/mol. IUPAC: 1-(2-chloroethyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea.
Chemical Property Profile of 1-(2-Chloroethyl)-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)urea
Property Insights of 1-(2-Chloroethyl)-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)urea
The XLogP value of -1.2 indicates that 1-(2-Chloroethyl)-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)urea is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 99.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Chloroethyl)-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)urea. Following Lipinski's Rule of Five, 1-(2-Chloroethyl)-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)urea has 4 hydrogen bond donor(s) and 3 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-(2-Chloroethyl)-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)urea?
The CAS number of 1-(2-Chloroethyl)-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)urea is 14945-17-6.
What is the molecular formula of 1-(2-Chloroethyl)-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)urea?
The molecular formula of 1-(2-Chloroethyl)-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)urea is C7H9ClN4O3.
What is the molecular weight of 1-(2-Chloroethyl)-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)urea?
The molecular weight of 1-(2-Chloroethyl)-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)urea is 232.04 g/mol.
Where can I buy 1-(2-Chloroethyl)-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)urea?
You can request a quote for 1-(2-Chloroethyl)-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Chloroethyl)-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chloroethyl)-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.