N-(2-Chloroethyl)-N'-(3-pyridinyl)urea
TL;DR: N-(2-Chloroethyl)-N'-(3-pyridinyl)urea (CAS 16263-51-7) is a chemical compound with molecular formula C8H10ClN3O and molecular weight 199.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3-pyridin-3-ylurea
Also Known As: N-(2-Chloroethyl)-N'-(3-pyridinyl)urea, 1-(2-chloroethyl)-3-pyridin-3-ylurea, NCIOpen2_001084, 3-(2-chloroethyl)-1-(pyridin-3-yl)urea, Urea, N-(2-chloroethyl)-N'-3-pyridinyl-
| Molecular Formula | C8H10ClN3O |
|---|---|
| Molecular Weight | 199.05 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 199.05124 |
| Heavy Atoms | 13 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 16263-51-7 |
|---|---|
| SMILES | C1=CC(=CN=C1)NC(=O)NCCCl |
| InChIKey | GHKZUTAGOUFZGD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2-Chloroethyl)-N'-(3-pyridinyl)urea (CAS 16263-51-7), with molecular formula C8H10ClN3O and molecular weight 199.05 g/mol. IUPAC: 1-(2-chloroethyl)-3-pyridin-3-ylurea.
Chemical Property Profile of N-(2-Chloroethyl)-N'-(3-pyridinyl)urea
Property Insights of N-(2-Chloroethyl)-N'-(3-pyridinyl)urea
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-Chloroethyl)-N'-(3-pyridinyl)urea. With a topological polar surface area (TPSA) of 54.0 Ų, N-(2-Chloroethyl)-N'-(3-pyridinyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-Chloroethyl)-N'-(3-pyridinyl)urea 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'-(3-pyridinyl)urea?
The CAS number of N-(2-Chloroethyl)-N'-(3-pyridinyl)urea is 16263-51-7.
What is the molecular formula of N-(2-Chloroethyl)-N'-(3-pyridinyl)urea?
The molecular formula of N-(2-Chloroethyl)-N'-(3-pyridinyl)urea is C8H10ClN3O.
What is the molecular weight of N-(2-Chloroethyl)-N'-(3-pyridinyl)urea?
The molecular weight of N-(2-Chloroethyl)-N'-(3-pyridinyl)urea is 199.05 g/mol.
Where can I buy N-(2-Chloroethyl)-N'-(3-pyridinyl)urea?
You can request a quote for N-(2-Chloroethyl)-N'-(3-pyridinyl)urea 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'-(3-pyridinyl)urea?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Chloroethyl)-N'-(3-pyridinyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.