![Urea, N-(2-chloroethyl)-N-nitroso-N'-[2-(2-pyridinyl)ethyl]-, N-oxide structure](/static/products/7278/72781-99-8.webp)
Urea, N-(2-chloroethyl)-N-nitroso-N'-[2-(2-pyridinyl)ethyl]-, N-oxide
TL;DR: Urea, N-(2-chloroethyl)-N-nitroso-N'-[2-(2-pyridinyl)ethyl]-, N-oxide (CAS 72781-99-8) is a chemical compound with molecular formula C10H13ClN4O3 and molecular weight 272.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-1-nitroso-3-[2-(1-oxidopyridin-1-ium-2-yl)ethyl]urea
Also Known As: Urea, N-oxide, Urea, N-(2-chloroethyl)-N-nitroso-N'-[2-(2-pyridinyl)ethyl]-, N-oxide, 1-(2-chloroethyl)-1-nitroso-3-[2-(1-oxidopyridin-1-ium-2-yl)ethyl]urea, N-(2-Chloroethyl)-N-nitroso-N'-[2-(1-oxo-1lambda~5~-pyridin-2-yl)ethyl]urea
| Molecular Formula | C10H13ClN4O3 |
|---|---|
| Molecular Weight | 272.07 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 87.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 272.06763 |
| Heavy Atoms | 18 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 72781-99-8 |
|---|---|
| SMILES | C1=CC=[N+](C(=C1)CCNC(=O)N(CCCl)N=O)[O-] |
| InChIKey | VBSODNNCLUFXBI-UHFFFAOYSA-N |
Product Overview
Urea, N-(2-chloroethyl)-N-nitroso-N'-[2-(2-pyridinyl)ethyl]-, N-oxide (CAS 72781-99-8), with molecular formula C10H13ClN4O3 and molecular weight 272.07 g/mol. IUPAC: 1-(2-chloroethyl)-1-nitroso-3-[2-(1-oxidopyridin-1-ium-2-yl)ethyl]urea.
Chemical Property Profile of Urea, N-(2-chloroethyl)-N-nitroso-N'-[2-(2-pyridinyl)ethyl]-, N-oxide
Property Insights of Urea, N-(2-chloroethyl)-N-nitroso-N'-[2-(2-pyridinyl)ethyl]-, N-oxide
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, N-(2-chloroethyl)-N-nitroso-N'-[2-(2-pyridinyl)ethyl]-, N-oxide. The TPSA of 87.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, N-(2-chloroethyl)-N-nitroso-N'-[2-(2-pyridinyl)ethyl]-, N-oxide. Following Lipinski's Rule of Five, Urea, N-(2-chloroethyl)-N-nitroso-N'-[2-(2-pyridinyl)ethyl]-, N-oxide 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 Urea, N-(2-chloroethyl)-N-nitroso-N'-[2-(2-pyridinyl)ethyl]-, N-oxide?
The CAS number of Urea, N-(2-chloroethyl)-N-nitroso-N'-[2-(2-pyridinyl)ethyl]-, N-oxide is 72781-99-8.
What is the molecular formula of Urea, N-(2-chloroethyl)-N-nitroso-N'-[2-(2-pyridinyl)ethyl]-, N-oxide?
The molecular formula of Urea, N-(2-chloroethyl)-N-nitroso-N'-[2-(2-pyridinyl)ethyl]-, N-oxide is C10H13ClN4O3.
What is the molecular weight of Urea, N-(2-chloroethyl)-N-nitroso-N'-[2-(2-pyridinyl)ethyl]-, N-oxide?
The molecular weight of Urea, N-(2-chloroethyl)-N-nitroso-N'-[2-(2-pyridinyl)ethyl]-, N-oxide is 272.07 g/mol.
Where can I buy Urea, N-(2-chloroethyl)-N-nitroso-N'-[2-(2-pyridinyl)ethyl]-, N-oxide?
You can request a quote for Urea, N-(2-chloroethyl)-N-nitroso-N'-[2-(2-pyridinyl)ethyl]-, N-oxide 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-nitroso-N'-[2-(2-pyridinyl)ethyl]-, N-oxide?
Yes, KEHONG BIO provides custom synthesis services for Urea, N-(2-chloroethyl)-N-nitroso-N'-[2-(2-pyridinyl)ethyl]-, N-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.