1-(2-Chloroethyl)-1-nitroso-3-(methylene-2-pyridinyl)urea
TL;DR: 1-(2-Chloroethyl)-1-nitroso-3-(methylene-2-pyridinyl)urea (CAS 42471-25-0) is a chemical compound with molecular formula C9H11ClN4O2 and molecular weight 242.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-1-nitroso-3-(pyridin-2-ylmethyl)urea
Also Known As: CNMPU, Urea, N-(2-chloroethyl)-N-nitroso-N'-(2-pyridinylmethyl)-, 1-(2-chloroethyl)-1-nitroso-3-(pyridin-2-ylmethyl)urea, 1-(2-Chloroethyl)-1-nitroso-3-(methylene-2-pyridinyl)urea, N-(2-Chloroethyl)-N-nitroso-N'-(2-pyridinylmethyl)urea
| Molecular Formula | C9H11ClN4O2 |
|---|---|
| Molecular Weight | 242.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 74.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 242.05705 |
| Heavy Atoms | 16 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 42471-25-0 |
|---|---|
| SMILES | C1=CC=NC(=C1)CNC(=O)N(CCCl)N=O |
| InChIKey | KDBBPXBHAODNBX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2-Chloroethyl)-1-nitroso-3-(methylene-2-pyridinyl)urea (CAS 42471-25-0), with molecular formula C9H11ClN4O2 and molecular weight 242.06 g/mol. IUPAC: 1-(2-chloroethyl)-1-nitroso-3-(pyridin-2-ylmethyl)urea.
Chemical Property Profile of 1-(2-Chloroethyl)-1-nitroso-3-(methylene-2-pyridinyl)urea
Property Insights of 1-(2-Chloroethyl)-1-nitroso-3-(methylene-2-pyridinyl)urea
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Chloroethyl)-1-nitroso-3-(methylene-2-pyridinyl)urea. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Chloroethyl)-1-nitroso-3-(methylene-2-pyridinyl)urea. Following Lipinski's Rule of Five, 1-(2-Chloroethyl)-1-nitroso-3-(methylene-2-pyridinyl)urea has 1 hydrogen bond donor(s) and 4 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)-1-nitroso-3-(methylene-2-pyridinyl)urea?
The CAS number of 1-(2-Chloroethyl)-1-nitroso-3-(methylene-2-pyridinyl)urea is 42471-25-0.
What is the molecular formula of 1-(2-Chloroethyl)-1-nitroso-3-(methylene-2-pyridinyl)urea?
The molecular formula of 1-(2-Chloroethyl)-1-nitroso-3-(methylene-2-pyridinyl)urea is C9H11ClN4O2.
What is the molecular weight of 1-(2-Chloroethyl)-1-nitroso-3-(methylene-2-pyridinyl)urea?
The molecular weight of 1-(2-Chloroethyl)-1-nitroso-3-(methylene-2-pyridinyl)urea is 242.06 g/mol.
Where can I buy 1-(2-Chloroethyl)-1-nitroso-3-(methylene-2-pyridinyl)urea?
You can request a quote for 1-(2-Chloroethyl)-1-nitroso-3-(methylene-2-pyridinyl)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)-1-nitroso-3-(methylene-2-pyridinyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chloroethyl)-1-nitroso-3-(methylene-2-pyridinyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.