1-(2-Chloroethyl)-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-1-nitrosourea
TL;DR: 1-(2-Chloroethyl)-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-1-nitrosourea (CAS 13908-67-3) is a chemical compound with molecular formula C7H8ClN5O4 and molecular weight 261.03 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)-1-nitrosourea
Also Known As: KST-1B0366, 1-(2-chloroethyl)-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-1-nitrosourea, Urea,2,3,4-tetrahydro-1,4-dioxo-5-pyrimidinyl)-, 1-(2-chloroethyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)-1-nitrosourea, N-(2-Chloroethyl)-N'-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-nitrosourea
| Molecular Formula | C7H8ClN5O4 |
|---|---|
| Molecular Weight | 261.03 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.0265 |
| Heavy Atoms | 17 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 13908-67-3 |
|---|---|
| SMILES | C1=C(C(=O)NC(=O)N1)NC(=O)N(CCCl)N=O |
| InChIKey | RVQSVXMZBNKSFM-UHFFFAOYSA-N |
Product Overview
1-(2-Chloroethyl)-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-1-nitrosourea (CAS 13908-67-3), with molecular formula C7H8ClN5O4 and molecular weight 261.03 g/mol. IUPAC: 1-(2-chloroethyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)-1-nitrosourea.
Chemical Property Profile of 1-(2-Chloroethyl)-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-1-nitrosourea
Property Insights of 1-(2-Chloroethyl)-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-1-nitrosourea
The XLogP value of -0.7 indicates that 1-(2-Chloroethyl)-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-1-nitrosourea is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 120.0 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)-1-nitrosourea. Following Lipinski's Rule of Five, 1-(2-Chloroethyl)-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-1-nitrosourea has 3 hydrogen bond donor(s) and 5 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)-1-nitrosourea?
The CAS number of 1-(2-Chloroethyl)-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-1-nitrosourea is 13908-67-3.
What is the molecular formula of 1-(2-Chloroethyl)-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-1-nitrosourea?
The molecular formula of 1-(2-Chloroethyl)-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-1-nitrosourea is C7H8ClN5O4.
What is the molecular weight of 1-(2-Chloroethyl)-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-1-nitrosourea?
The molecular weight of 1-(2-Chloroethyl)-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-1-nitrosourea is 261.03 g/mol.
Where can I buy 1-(2-Chloroethyl)-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-1-nitrosourea?
You can request a quote for 1-(2-Chloroethyl)-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-1-nitrosourea 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)-1-nitrosourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chloroethyl)-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-1-nitrosourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.