Urea, N-(2-chloroethyl)-N'-((2-methyl-5-pyrimidinyl)methyl)-N-nitroso-
TL;DR: Urea, N-(2-chloroethyl)-N'-((2-methyl-5-pyrimidinyl)methyl)-N-nitroso- (CAS 100853-84-7) is a chemical compound with molecular formula C9H12ClN5O2 and molecular weight 257.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3-[(2-methylpyrimidin-5-yl)methyl]-1-nitrosourea
Also Known As: Urea, N-(2-chloroethyl)-N'-((2-methyl-5-pyrimidinyl)methyl)-N-nitroso-, 1-(2-chloroethyl)-3-[(2-methylpyrimidin-5-yl)methyl]-1-nitrosourea, N-(2-Chloroethyl)-N'-((2-methyl-5-pyrimidinyl)methyl)-N-nitrosourea, ACETIC ACID, PHENYL-, 1-ETHYL-1-METHYL-2-PROPYNYL ESTER, 3-[(2-Methyl-5-pyrimidinyl)methyl]-1-(2-chloroethyl)-1-nitrosourea
| Molecular Formula | C9H12ClN5O2 |
|---|---|
| Molecular Weight | 257.07 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 87.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 257.06796 |
| Heavy Atoms | 17 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 100853-84-7 |
|---|---|
| SMILES | CC1=NC=C(C=N1)CNC(=O)N(CCCl)N=O |
| InChIKey | DYLYSMLVNLEGMG-UHFFFAOYSA-N |
Product Overview
Urea, N-(2-chloroethyl)-N'-((2-methyl-5-pyrimidinyl)methyl)-N-nitroso- (CAS 100853-84-7), with molecular formula C9H12ClN5O2 and molecular weight 257.07 g/mol. IUPAC: 1-(2-chloroethyl)-3-[(2-methylpyrimidin-5-yl)methyl]-1-nitrosourea.
Chemical Property Profile of Urea, N-(2-chloroethyl)-N'-((2-methyl-5-pyrimidinyl)methyl)-N-nitroso-
Property Insights of Urea, N-(2-chloroethyl)-N'-((2-methyl-5-pyrimidinyl)methyl)-N-nitroso-
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, N-(2-chloroethyl)-N'-((2-methyl-5-pyrimidinyl)methyl)-N-nitroso-. The TPSA of 87.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, N-(2-chloroethyl)-N'-((2-methyl-5-pyrimidinyl)methyl)-N-nitroso-. Following Lipinski's Rule of Five, Urea, N-(2-chloroethyl)-N'-((2-methyl-5-pyrimidinyl)methyl)-N-nitroso- has 1 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 Urea, N-(2-chloroethyl)-N'-((2-methyl-5-pyrimidinyl)methyl)-N-nitroso-?
The CAS number of Urea, N-(2-chloroethyl)-N'-((2-methyl-5-pyrimidinyl)methyl)-N-nitroso- is 100853-84-7.
What is the molecular formula of Urea, N-(2-chloroethyl)-N'-((2-methyl-5-pyrimidinyl)methyl)-N-nitroso-?
The molecular formula of Urea, N-(2-chloroethyl)-N'-((2-methyl-5-pyrimidinyl)methyl)-N-nitroso- is C9H12ClN5O2.
What is the molecular weight of Urea, N-(2-chloroethyl)-N'-((2-methyl-5-pyrimidinyl)methyl)-N-nitroso-?
The molecular weight of Urea, N-(2-chloroethyl)-N'-((2-methyl-5-pyrimidinyl)methyl)-N-nitroso- is 257.07 g/mol.
Where can I buy Urea, N-(2-chloroethyl)-N'-((2-methyl-5-pyrimidinyl)methyl)-N-nitroso-?
You can request a quote for Urea, N-(2-chloroethyl)-N'-((2-methyl-5-pyrimidinyl)methyl)-N-nitroso- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, N-(2-chloroethyl)-N'-((2-methyl-5-pyrimidinyl)methyl)-N-nitroso-?
Yes, KEHONG BIO provides custom synthesis services for Urea, N-(2-chloroethyl)-N'-((2-methyl-5-pyrimidinyl)methyl)-N-nitroso- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.