![2-[butyl-[(4-ethoxyphenyl)carbamoyl]amino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide structure](/static/products/5946/5946-95-2.webp)
2-[butyl-[(4-ethoxyphenyl)carbamoyl]amino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide
TL;DR: 2-[butyl-[(4-ethoxyphenyl)carbamoyl]amino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide (CAS 5946-95-2) is a chemical compound with molecular formula C31H41ClN4O3 and molecular weight 552.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[butyl-[(4-ethoxyphenyl)carbamoyl]amino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide
Also Known As: 2-[butyl-[(4-ethoxyphenyl)carbamoyl]amino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide, N~2~-Butyl-N-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N~2~-[(4-ethoxyphenyl)carbamoyl]-N-(2-methylpropyl)glycinamide
| Molecular Formula | C31H41ClN4O3 |
|---|---|
| Molecular Weight | 552.29 g/mol |
| LogP | 6.9073 |
| Topological Polar Surface Area | 66.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 14 |
| Exact Mass | 552.28674 |
| Heavy Atoms | 39 |
| Complexity | 1192.5546 |
Chemical Identifiers
| CAS Number | 5946-95-2 |
|---|---|
| SMILES | CCCCN(CC(=O)N(CC1=CC=CN1CC2=CC=CC=C2Cl)CC(C)C)C(=O)NC3=CC=C(C=C3)OCC |
Product Overview
2-[butyl-[(4-ethoxyphenyl)carbamoyl]amino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide (CAS 5946-95-2), with molecular formula C31H41ClN4O3 and molecular weight 552.29 g/mol. IUPAC: 2-[butyl-[(4-ethoxyphenyl)carbamoyl]amino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide.
Chemical Property Profile of 2-[butyl-[(4-ethoxyphenyl)carbamoyl]amino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide
Property Insights of 2-[butyl-[(4-ethoxyphenyl)carbamoyl]amino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide
The XLogP value of 6.9073 indicates that 2-[butyl-[(4-ethoxyphenyl)carbamoyl]amino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[butyl-[(4-ethoxyphenyl)carbamoyl]amino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide. Following Lipinski's Rule of Five, 2-[butyl-[(4-ethoxyphenyl)carbamoyl]amino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[butyl-[(4-ethoxyphenyl)carbamoyl]amino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide?
The CAS number of 2-[butyl-[(4-ethoxyphenyl)carbamoyl]amino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide is 5946-95-2.
What is the molecular formula of 2-[butyl-[(4-ethoxyphenyl)carbamoyl]amino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide?
The molecular formula of 2-[butyl-[(4-ethoxyphenyl)carbamoyl]amino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide is C31H41ClN4O3.
What is the molecular weight of 2-[butyl-[(4-ethoxyphenyl)carbamoyl]amino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide?
The molecular weight of 2-[butyl-[(4-ethoxyphenyl)carbamoyl]amino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide is 552.29 g/mol.
Where can I buy 2-[butyl-[(4-ethoxyphenyl)carbamoyl]amino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide?
You can request a quote for 2-[butyl-[(4-ethoxyphenyl)carbamoyl]amino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[butyl-[(4-ethoxyphenyl)carbamoyl]amino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[butyl-[(4-ethoxyphenyl)carbamoyl]amino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.