Urea, N'-((4-amino-2-methyl-5-pyrimidinyl)methyl)-N-(2-chloroethyl)-N-nitroso-, monosodium salt
TL;DR: Urea, N'-((4-amino-2-methyl-5-pyrimidinyl)methyl)-N-(2-chloroethyl)-N-nitroso-, monosodium salt (CAS 1121-81-9) is a chemical compound with molecular formula C9H13ClN6NaO2+ and molecular weight 295.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-1-(2-chloroethyl)-1-nitrosourea
Also Known As: Urea, N'-((4-amino-2-methyl-5-pyrimidinyl)methyl)-N-(2-chloroethyl)-N-nitroso-, monosodium salt, urea, n'-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-n-(2-chloroethyl)-n-nitroso-, sodium salt(1:1), Sodium 3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-1-(2-chloroethyl)-1-nitroso-urea, sodium 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-1-(2-chloroethyl)-1-nitrosourea, Urea, N'-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-(2-chloroethyl)-N-nitroso-, sodium salt (1:1)
| Molecular Formula | C9H13ClN6NaO2+ |
|---|---|
| Molecular Weight | 295.07 g/mol |
| LogP | -2.19698 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.06863 |
| Heavy Atoms | 19 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 1121-81-9 |
|---|---|
| SMILES | CC1=NC=C(C(=N1)N)CNC(=O)N(CCCl)N=O.[Na+] |
| InChIKey | WCIRDPAVRRIWKW-UHFFFAOYSA-N |
Product Overview
Urea, N'-((4-amino-2-methyl-5-pyrimidinyl)methyl)-N-(2-chloroethyl)-N-nitroso-, monosodium salt (CAS 1121-81-9), with molecular formula C9H13ClN6NaO2+ and molecular weight 295.07 g/mol. IUPAC: sodium 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-1-(2-chloroethyl)-1-nitrosourea.
Chemical Property Profile of Urea, N'-((4-amino-2-methyl-5-pyrimidinyl)methyl)-N-(2-chloroethyl)-N-nitroso-, monosodium salt
Property Insights of Urea, N'-((4-amino-2-methyl-5-pyrimidinyl)methyl)-N-(2-chloroethyl)-N-nitroso-, monosodium salt
The XLogP value of -2.19698 indicates that Urea, N'-((4-amino-2-methyl-5-pyrimidinyl)methyl)-N-(2-chloroethyl)-N-nitroso-, monosodium salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, N'-((4-amino-2-methyl-5-pyrimidinyl)methyl)-N-(2-chloroethyl)-N-nitroso-, monosodium salt. Following Lipinski's Rule of Five, Urea, N'-((4-amino-2-methyl-5-pyrimidinyl)methyl)-N-(2-chloroethyl)-N-nitroso-, monosodium salt has 2 hydrogen bond donor(s) and 6 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 Urea, N'-((4-amino-2-methyl-5-pyrimidinyl)methyl)-N-(2-chloroethyl)-N-nitroso-, monosodium salt?
The CAS number of Urea, N'-((4-amino-2-methyl-5-pyrimidinyl)methyl)-N-(2-chloroethyl)-N-nitroso-, monosodium salt is 1121-81-9.
What is the molecular formula of Urea, N'-((4-amino-2-methyl-5-pyrimidinyl)methyl)-N-(2-chloroethyl)-N-nitroso-, monosodium salt?
The molecular formula of Urea, N'-((4-amino-2-methyl-5-pyrimidinyl)methyl)-N-(2-chloroethyl)-N-nitroso-, monosodium salt is C9H13ClN6NaO2+.
What is the molecular weight of Urea, N'-((4-amino-2-methyl-5-pyrimidinyl)methyl)-N-(2-chloroethyl)-N-nitroso-, monosodium salt?
The molecular weight of Urea, N'-((4-amino-2-methyl-5-pyrimidinyl)methyl)-N-(2-chloroethyl)-N-nitroso-, monosodium salt is 295.07 g/mol.
Where can I buy Urea, N'-((4-amino-2-methyl-5-pyrimidinyl)methyl)-N-(2-chloroethyl)-N-nitroso-, monosodium salt?
You can request a quote for Urea, N'-((4-amino-2-methyl-5-pyrimidinyl)methyl)-N-(2-chloroethyl)-N-nitroso-, monosodium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, N'-((4-amino-2-methyl-5-pyrimidinyl)methyl)-N-(2-chloroethyl)-N-nitroso-, monosodium salt?
Yes, KEHONG BIO provides custom synthesis services for Urea, N'-((4-amino-2-methyl-5-pyrimidinyl)methyl)-N-(2-chloroethyl)-N-nitroso-, monosodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.