N-(2-Chloroethyl)-N'-8-quinolinylurea
TL;DR: N-(2-Chloroethyl)-N'-8-quinolinylurea (CAS 13908-59-3) is a chemical compound with molecular formula C12H12ClN3O and molecular weight 249.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3-quinolin-8-ylurea
Also Known As: Urea, 1-(2-chloroethyl)-3-(8-quinolyl)-, 1-(2-Chloroethyl)-3-(8-quinolinyl)urea, 1-(2-chloroethyl)-3-quinolin-8-ylurea, 1-(2-Chloroethyl)-3-(8-quinolyl)urea, N-(2-Chloroethyl)-N'-8-quinolinylurea
| Molecular Formula | C12H12ClN3O |
|---|---|
| Molecular Weight | 249.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.0669 |
| Heavy Atoms | 17 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 13908-59-3 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)NC(=O)NCCCl)N=CC=C2 |
| InChIKey | XKAAAQHQHINIGV-UHFFFAOYSA-N |
Product Overview
N-(2-Chloroethyl)-N'-8-quinolinylurea (CAS 13908-59-3), with molecular formula C12H12ClN3O and molecular weight 249.07 g/mol. IUPAC: 1-(2-chloroethyl)-3-quinolin-8-ylurea.
Chemical Property Profile of N-(2-Chloroethyl)-N'-8-quinolinylurea
Property Insights of N-(2-Chloroethyl)-N'-8-quinolinylurea
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-Chloroethyl)-N'-8-quinolinylurea. With a topological polar surface area (TPSA) of 54.0 Ų, N-(2-Chloroethyl)-N'-8-quinolinylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-Chloroethyl)-N'-8-quinolinylurea has 2 hydrogen bond donor(s) and 2 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 N-(2-Chloroethyl)-N'-8-quinolinylurea?
The CAS number of N-(2-Chloroethyl)-N'-8-quinolinylurea is 13908-59-3.
What is the molecular formula of N-(2-Chloroethyl)-N'-8-quinolinylurea?
The molecular formula of N-(2-Chloroethyl)-N'-8-quinolinylurea is C12H12ClN3O.
What is the molecular weight of N-(2-Chloroethyl)-N'-8-quinolinylurea?
The molecular weight of N-(2-Chloroethyl)-N'-8-quinolinylurea is 249.07 g/mol.
Where can I buy N-(2-Chloroethyl)-N'-8-quinolinylurea?
You can request a quote for N-(2-Chloroethyl)-N'-8-quinolinylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Chloroethyl)-N'-8-quinolinylurea?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Chloroethyl)-N'-8-quinolinylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.