Urea, 1-(2-chloroethyl)-1-nitroso-3-(8-quinolyl)-
TL;DR: Urea, 1-(2-chloroethyl)-1-nitroso-3-(8-quinolyl)- (CAS 16172-96-6) is a chemical compound with molecular formula C12H11ClN4O2 and molecular weight 278.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-1-nitroso-3-quinolin-8-ylurea
Also Known As: KST-1B0774, 1-(2-chloroethyl)-1-nitroso-3-quinolin-8-ylurea, Urea, 1-(2-chloroethyl)-1-nitroso-3-(8-quinolyl)-, Urea,N-(2-chloroethyl)-N-nitroso-N'-8-quinolinyl-, 1-(2-chloro-ethyl)-1-nitroso-3-quinolin-8-yl-urea
| Molecular Formula | C12H11ClN4O2 |
|---|---|
| Molecular Weight | 278.06 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 74.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.05707 |
| Heavy Atoms | 19 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 16172-96-6 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)NC(=O)N(CCCl)N=O)N=CC=C2 |
| InChIKey | VOWDSBNSAAJLBW-UHFFFAOYSA-N |
Product Overview
Urea, 1-(2-chloroethyl)-1-nitroso-3-(8-quinolyl)- (CAS 16172-96-6), with molecular formula C12H11ClN4O2 and molecular weight 278.06 g/mol. IUPAC: 1-(2-chloroethyl)-1-nitroso-3-quinolin-8-ylurea.
Chemical Property Profile of Urea, 1-(2-chloroethyl)-1-nitroso-3-(8-quinolyl)-
Property Insights of Urea, 1-(2-chloroethyl)-1-nitroso-3-(8-quinolyl)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, 1-(2-chloroethyl)-1-nitroso-3-(8-quinolyl)-. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, 1-(2-chloroethyl)-1-nitroso-3-(8-quinolyl)-. Following Lipinski's Rule of Five, Urea, 1-(2-chloroethyl)-1-nitroso-3-(8-quinolyl)- 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, 1-(2-chloroethyl)-1-nitroso-3-(8-quinolyl)-?
The CAS number of Urea, 1-(2-chloroethyl)-1-nitroso-3-(8-quinolyl)- is 16172-96-6.
What is the molecular formula of Urea, 1-(2-chloroethyl)-1-nitroso-3-(8-quinolyl)-?
The molecular formula of Urea, 1-(2-chloroethyl)-1-nitroso-3-(8-quinolyl)- is C12H11ClN4O2.
What is the molecular weight of Urea, 1-(2-chloroethyl)-1-nitroso-3-(8-quinolyl)-?
The molecular weight of Urea, 1-(2-chloroethyl)-1-nitroso-3-(8-quinolyl)- is 278.06 g/mol.
Where can I buy Urea, 1-(2-chloroethyl)-1-nitroso-3-(8-quinolyl)-?
You can request a quote for Urea, 1-(2-chloroethyl)-1-nitroso-3-(8-quinolyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, 1-(2-chloroethyl)-1-nitroso-3-(8-quinolyl)-?
Yes, KEHONG BIO provides custom synthesis services for Urea, 1-(2-chloroethyl)-1-nitroso-3-(8-quinolyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.