![N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-2-[(4-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]acetamide structure](/static/products/5952/5952-45-4.webp)
N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-2-[(4-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]acetamide
TL;DR: N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-2-[(4-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]acetamide (CAS 5952-45-4) is a chemical compound with molecular formula C30H39BrN4O4 and molecular weight 598.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-2-[(4-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]acetamide
Also Known As: N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-2-[(4-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]acetamide, N-({1-[(4-Bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-butyl-N~2~-[(4-ethoxyphenyl)carbamoyl]-N~2~-(2-methoxyethyl)glycinamide
| Molecular Formula | C30H39BrN4O4 |
|---|---|
| Molecular Weight | 598.22 g/mol |
| LogP | 6.0068 |
| Topological Polar Surface Area | 76.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Exact Mass | 598.21545 |
| Heavy Atoms | 39 |
| Complexity | 1164.4652 |
Chemical Identifiers
| CAS Number | 5952-45-4 |
|---|---|
| SMILES | CCCCN(CC1=CC=CN1CC2=CC=C(C=C2)Br)C(=O)CN(CCOC)C(=O)NC3=CC=C(C=C3)OCC |
Product Overview
N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-2-[(4-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]acetamide (CAS 5952-45-4), with molecular formula C30H39BrN4O4 and molecular weight 598.22 g/mol. IUPAC: N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-2-[(4-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]acetamide.
Chemical Property Profile of N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-2-[(4-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]acetamide
Property Insights of N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-2-[(4-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]acetamide
The XLogP value of 6.0068 indicates that N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-2-[(4-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.04 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-2-[(4-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]acetamide. Following Lipinski's Rule of Five, N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-2-[(4-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]acetamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-2-[(4-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]acetamide?
The CAS number of N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-2-[(4-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]acetamide is 5952-45-4.
What is the molecular formula of N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-2-[(4-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]acetamide?
The molecular formula of N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-2-[(4-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]acetamide is C30H39BrN4O4.
What is the molecular weight of N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-2-[(4-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]acetamide?
The molecular weight of N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-2-[(4-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]acetamide is 598.22 g/mol.
Where can I buy N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-2-[(4-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]acetamide?
You can request a quote for N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-2-[(4-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-2-[(4-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-2-[(4-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.