![N-butyl-N'-[2-chloro-6-(1H-pyrrol-1-yl)benzyl]urea structure](/static/products/866/866010-58-4.png)
N-butyl-N'-[2-chloro-6-(1H-pyrrol-1-yl)benzyl]urea
TL;DR: N-butyl-N'-[2-chloro-6-(1H-pyrrol-1-yl)benzyl]urea (CAS 866010-58-4) is a chemical compound with molecular formula C16H20ClN3O and molecular weight 305.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-3-[(2-chloro-6-pyrrol-1-ylphenyl)methyl]urea
Also Known As: N-butyl-N'-[2-chloro-6-(1H-pyrrol-1-yl)benzyl]urea, 1-butyl-3-[(2-chloro-6-pyrrol-1-ylphenyl)methyl]urea, 3-butyl-1-{[2-chloro-6-(1H-pyrrol-1-yl)phenyl]methyl}urea, 3-butyl-1-[(2-chloro-6-pyrrol-1-yl-phenyl)methyl]urea
| Molecular Formula | C16H20ClN3O |
|---|---|
| Molecular Weight | 305.13 g/mol |
| LogP | 3.73 |
| Topological Polar Surface Area | 46.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 305.1295 |
| Heavy Atoms | 21 |
| Complexity | 581.21295 |
Chemical Identifiers
| CAS Number | 866010-58-4 |
|---|---|
| SMILES | CCCCNC(=O)NCC1=C(C=CC=C1Cl)N2C=CC=C2 |
Product Overview
N-butyl-N'-[2-chloro-6-(1H-pyrrol-1-yl)benzyl]urea (CAS 866010-58-4), with molecular formula C16H20ClN3O and molecular weight 305.13 g/mol. IUPAC: 1-butyl-3-[(2-chloro-6-pyrrol-1-ylphenyl)methyl]urea.
Chemical Property Profile of N-butyl-N'-[2-chloro-6-(1H-pyrrol-1-yl)benzyl]urea
Property Insights of N-butyl-N'-[2-chloro-6-(1H-pyrrol-1-yl)benzyl]urea
The XLogP value of 3.73 indicates that N-butyl-N'-[2-chloro-6-(1H-pyrrol-1-yl)benzyl]urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.06 Ų, N-butyl-N'-[2-chloro-6-(1H-pyrrol-1-yl)benzyl]urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-butyl-N'-[2-chloro-6-(1H-pyrrol-1-yl)benzyl]urea has 2 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 N-butyl-N'-[2-chloro-6-(1H-pyrrol-1-yl)benzyl]urea?
The CAS number of N-butyl-N'-[2-chloro-6-(1H-pyrrol-1-yl)benzyl]urea is 866010-58-4.
What is the molecular formula of N-butyl-N'-[2-chloro-6-(1H-pyrrol-1-yl)benzyl]urea?
The molecular formula of N-butyl-N'-[2-chloro-6-(1H-pyrrol-1-yl)benzyl]urea is C16H20ClN3O.
What is the molecular weight of N-butyl-N'-[2-chloro-6-(1H-pyrrol-1-yl)benzyl]urea?
The molecular weight of N-butyl-N'-[2-chloro-6-(1H-pyrrol-1-yl)benzyl]urea is 305.13 g/mol.
Where can I buy N-butyl-N'-[2-chloro-6-(1H-pyrrol-1-yl)benzyl]urea?
You can request a quote for N-butyl-N'-[2-chloro-6-(1H-pyrrol-1-yl)benzyl]urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-butyl-N'-[2-chloro-6-(1H-pyrrol-1-yl)benzyl]urea?
Yes, KEHONG BIO provides custom synthesis services for N-butyl-N'-[2-chloro-6-(1H-pyrrol-1-yl)benzyl]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.