N,N-Bis(2-chloroethyl)-N'-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)urea
TL;DR: N,N-Bis(2-chloroethyl)-N'-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)urea (CAS 90560-64-8) is a chemical compound with molecular formula C9H12Cl2N4O3 and molecular weight 294.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-bis(2-chloroethyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea
Also Known As: NCIOpen2_002899, 1,1-bis(2-chloroethyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea, N,N-Bis(2-chloroethyl)-N'-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)urea, 1,1-bis(2-chloroethyl)-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)urea
| Molecular Formula | C9H12Cl2N4O3 |
|---|---|
| Molecular Weight | 294.03 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 90.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 294.02866 |
| Heavy Atoms | 18 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 90560-64-8 |
|---|---|
| SMILES | C1=C(C(=O)NC(=O)N1)NC(=O)N(CCCl)CCCl |
| InChIKey | MDVLNLDMNIKUFS-UHFFFAOYSA-N |
Product Overview
N,N-Bis(2-chloroethyl)-N'-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)urea (CAS 90560-64-8), with molecular formula C9H12Cl2N4O3 and molecular weight 294.03 g/mol. IUPAC: 1,1-bis(2-chloroethyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)urea.
Chemical Property Profile of N,N-Bis(2-chloroethyl)-N'-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)urea
Property Insights of N,N-Bis(2-chloroethyl)-N'-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)urea
The XLogP value of -0.4 indicates that N,N-Bis(2-chloroethyl)-N'-(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 90.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-Bis(2-chloroethyl)-N'-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)urea. Following Lipinski's Rule of Five, N,N-Bis(2-chloroethyl)-N'-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)urea has 3 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 N,N-Bis(2-chloroethyl)-N'-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)urea?
The CAS number of N,N-Bis(2-chloroethyl)-N'-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)urea is 90560-64-8.
What is the molecular formula of N,N-Bis(2-chloroethyl)-N'-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)urea?
The molecular formula of N,N-Bis(2-chloroethyl)-N'-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)urea is C9H12Cl2N4O3.
What is the molecular weight of N,N-Bis(2-chloroethyl)-N'-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)urea?
The molecular weight of N,N-Bis(2-chloroethyl)-N'-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)urea is 294.03 g/mol.
Where can I buy N,N-Bis(2-chloroethyl)-N'-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)urea?
You can request a quote for N,N-Bis(2-chloroethyl)-N'-(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 N,N-Bis(2-chloroethyl)-N'-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for N,N-Bis(2-chloroethyl)-N'-(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.