Urea, 1-(2-chloroethyl)-3-(p-pyridyl)-
TL;DR: Urea, 1-(2-chloroethyl)-3-(p-pyridyl)- (CAS 62491-96-7) 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-4-ylurea
Also Known As: 1-(2-chloroethyl)-3-(pyridin-4-yl)urea, 1-(2-chloroethyl)-3-pyridin-4-ylurea, N-(2-Chloroethyl)-N'-(4-pyridinyl)urea, 3-(2-chloroethyl)-1-(pyridin-4-yl)urea, Urea, 1-(2-chloroethyl)-3-(p-pyridyl)-
| Molecular Formula | C8H10ClN3O |
|---|---|
| Molecular Weight | 199.05 g/mol |
| LogP | 0.4 |
| 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 | 159.0 |
Chemical Identifiers
| CAS Number | 62491-96-7 |
|---|---|
| SMILES | C1=CN=CC=C1NC(=O)NCCCl |
| InChIKey | AMFLVHLPLULRRP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Urea, 1-(2-chloroethyl)-3-(p-pyridyl)- (CAS 62491-96-7), with molecular formula C8H10ClN3O and molecular weight 199.05 g/mol. IUPAC: 1-(2-chloroethyl)-3-pyridin-4-ylurea.
Chemical Property Profile of Urea, 1-(2-chloroethyl)-3-(p-pyridyl)-
Property Insights of Urea, 1-(2-chloroethyl)-3-(p-pyridyl)-
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, 1-(2-chloroethyl)-3-(p-pyridyl)-. With a topological polar surface area (TPSA) of 54.0 Ų, Urea, 1-(2-chloroethyl)-3-(p-pyridyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Urea, 1-(2-chloroethyl)-3-(p-pyridyl)- 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 Urea, 1-(2-chloroethyl)-3-(p-pyridyl)-?
The CAS number of Urea, 1-(2-chloroethyl)-3-(p-pyridyl)- is 62491-96-7.
What is the molecular formula of Urea, 1-(2-chloroethyl)-3-(p-pyridyl)-?
The molecular formula of Urea, 1-(2-chloroethyl)-3-(p-pyridyl)- is C8H10ClN3O.
What is the molecular weight of Urea, 1-(2-chloroethyl)-3-(p-pyridyl)-?
The molecular weight of Urea, 1-(2-chloroethyl)-3-(p-pyridyl)- is 199.05 g/mol.
Where can I buy Urea, 1-(2-chloroethyl)-3-(p-pyridyl)-?
You can request a quote for Urea, 1-(2-chloroethyl)-3-(p-pyridyl)- 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)-3-(p-pyridyl)-?
Yes, KEHONG BIO provides custom synthesis services for Urea, 1-(2-chloroethyl)-3-(p-pyridyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.