![N-(3-Chlorophenyl)-N'-[4-(pyrrolidin-1-yl)but-2-yn-1-yl]urea structure](/static/products/1405/14053-13-5.webp)
N-(3-Chlorophenyl)-N'-[4-(pyrrolidin-1-yl)but-2-yn-1-yl]urea
TL;DR: N-(3-Chlorophenyl)-N'-[4-(pyrrolidin-1-yl)but-2-yn-1-yl]urea (CAS 14053-13-5) is a chemical compound with molecular formula C15H18ClN3O and molecular weight 291.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chlorophenyl)-3-(4-pyrrolidin-1-ylbut-2-ynyl)urea
Also Known As: 1-(3-chlorophenyl)-3-(4-pyrrolidin-1-ylbut-2-ynyl)urea, N-(3-Chlorophenyl)-N'-[4-(pyrrolidin-1-yl)but-2-yn-1-yl]urea
| Molecular Formula | C15H18ClN3O |
|---|---|
| Molecular Weight | 291.11 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 44.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.11383 |
| Heavy Atoms | 20 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 14053-13-5 |
|---|---|
| SMILES | C1CCN(C1)CC#CCNC(=O)NC2=CC(=CC=C2)Cl |
| InChIKey | URLRLHJZHGQXHQ-UHFFFAOYSA-N |
Product Overview
N-(3-Chlorophenyl)-N'-[4-(pyrrolidin-1-yl)but-2-yn-1-yl]urea (CAS 14053-13-5), with molecular formula C15H18ClN3O and molecular weight 291.11 g/mol. IUPAC: 1-(3-chlorophenyl)-3-(4-pyrrolidin-1-ylbut-2-ynyl)urea.
Chemical Property Profile of N-(3-Chlorophenyl)-N'-[4-(pyrrolidin-1-yl)but-2-yn-1-yl]urea
Property Insights of N-(3-Chlorophenyl)-N'-[4-(pyrrolidin-1-yl)but-2-yn-1-yl]urea
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-Chlorophenyl)-N'-[4-(pyrrolidin-1-yl)but-2-yn-1-yl]urea. With a topological polar surface area (TPSA) of 44.4 Ų, N-(3-Chlorophenyl)-N'-[4-(pyrrolidin-1-yl)but-2-yn-1-yl]urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-Chlorophenyl)-N'-[4-(pyrrolidin-1-yl)but-2-yn-1-yl]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-(3-Chlorophenyl)-N'-[4-(pyrrolidin-1-yl)but-2-yn-1-yl]urea?
The CAS number of N-(3-Chlorophenyl)-N'-[4-(pyrrolidin-1-yl)but-2-yn-1-yl]urea is 14053-13-5.
What is the molecular formula of N-(3-Chlorophenyl)-N'-[4-(pyrrolidin-1-yl)but-2-yn-1-yl]urea?
The molecular formula of N-(3-Chlorophenyl)-N'-[4-(pyrrolidin-1-yl)but-2-yn-1-yl]urea is C15H18ClN3O.
What is the molecular weight of N-(3-Chlorophenyl)-N'-[4-(pyrrolidin-1-yl)but-2-yn-1-yl]urea?
The molecular weight of N-(3-Chlorophenyl)-N'-[4-(pyrrolidin-1-yl)but-2-yn-1-yl]urea is 291.11 g/mol.
Where can I buy N-(3-Chlorophenyl)-N'-[4-(pyrrolidin-1-yl)but-2-yn-1-yl]urea?
You can request a quote for N-(3-Chlorophenyl)-N'-[4-(pyrrolidin-1-yl)but-2-yn-1-yl]urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-Chlorophenyl)-N'-[4-(pyrrolidin-1-yl)but-2-yn-1-yl]urea?
Yes, KEHONG BIO provides custom synthesis services for N-(3-Chlorophenyl)-N'-[4-(pyrrolidin-1-yl)but-2-yn-1-yl]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.