1-(m-Chlorophenyl)-3-(1-ethylpyrrolidin-2-ylidene)urea
TL;DR: 1-(m-Chlorophenyl)-3-(1-ethylpyrrolidin-2-ylidene)urea (CAS 50529-32-3) is a chemical compound with molecular formula C13H16ClN3O and molecular weight 265.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chlorophenyl)-3-(1-ethylpyrrolidin-2-ylidene)urea
Also Known As: 1-(m-Chlorophenyl)-3-(1-ethylpyrrolidin-2-ylidene)urea, 5-22-08-00200 (Beilstein Handbook Reference), 1-m-chlorophenyl-3-(1-ethyl-2-pyrrolidylidene)urea, Urea, (3-chlorophenyl)(1-ethyl-2-pyrrolidinylidene)-, 1-(m-Chlorophenyl)-3-(1-ethyl-2-pyrrolidinylidene)urea
| Molecular Formula | C13H16ClN3O |
|---|---|
| Molecular Weight | 265.10 g/mol |
| LogP | 3.3861 |
| Topological Polar Surface Area | 44.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 265.09818 |
| Heavy Atoms | 18 |
| Complexity | 473.05908 |
Chemical Identifiers
| CAS Number | 50529-32-3 |
|---|---|
| SMILES | CCN1CCCC1=NC(=O)NC2=CC(=CC=C2)Cl |
Product Overview
1-(m-Chlorophenyl)-3-(1-ethylpyrrolidin-2-ylidene)urea (CAS 50529-32-3), with molecular formula C13H16ClN3O and molecular weight 265.10 g/mol. IUPAC: 1-(3-chlorophenyl)-3-(1-ethylpyrrolidin-2-ylidene)urea.
Chemical Property Profile of 1-(m-Chlorophenyl)-3-(1-ethylpyrrolidin-2-ylidene)urea
Property Insights of 1-(m-Chlorophenyl)-3-(1-ethylpyrrolidin-2-ylidene)urea
The XLogP value of 3.3861 indicates that 1-(m-Chlorophenyl)-3-(1-ethylpyrrolidin-2-ylidene)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.7 Ų, 1-(m-Chlorophenyl)-3-(1-ethylpyrrolidin-2-ylidene)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(m-Chlorophenyl)-3-(1-ethylpyrrolidin-2-ylidene)urea has 1 hydrogen bond donor(s) and 1 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 1-(m-Chlorophenyl)-3-(1-ethylpyrrolidin-2-ylidene)urea?
The CAS number of 1-(m-Chlorophenyl)-3-(1-ethylpyrrolidin-2-ylidene)urea is 50529-32-3.
What is the molecular formula of 1-(m-Chlorophenyl)-3-(1-ethylpyrrolidin-2-ylidene)urea?
The molecular formula of 1-(m-Chlorophenyl)-3-(1-ethylpyrrolidin-2-ylidene)urea is C13H16ClN3O.
What is the molecular weight of 1-(m-Chlorophenyl)-3-(1-ethylpyrrolidin-2-ylidene)urea?
The molecular weight of 1-(m-Chlorophenyl)-3-(1-ethylpyrrolidin-2-ylidene)urea is 265.10 g/mol.
Where can I buy 1-(m-Chlorophenyl)-3-(1-ethylpyrrolidin-2-ylidene)urea?
You can request a quote for 1-(m-Chlorophenyl)-3-(1-ethylpyrrolidin-2-ylidene)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(m-Chlorophenyl)-3-(1-ethylpyrrolidin-2-ylidene)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(m-Chlorophenyl)-3-(1-ethylpyrrolidin-2-ylidene)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.