![4-[4-(tert-butyl)benzoyl]-N-(3-morpholinopropyl)-1H-pyrrole-2-carboxamide structure](/static/products/4391/439111-50-9.webp)
4-[4-(tert-butyl)benzoyl]-N-(3-morpholinopropyl)-1H-pyrrole-2-carboxamide
TL;DR: 4-[4-(tert-butyl)benzoyl]-N-(3-morpholinopropyl)-1H-pyrrole-2-carboxamide (CAS 439111-50-9) is a chemical compound with molecular formula C23H31N3O3 and molecular weight 397.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-tert-butylbenzoyl)-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-2-carboxamide
Also Known As: Bionet1_004794, 4-[4-(tert-butyl)benzoyl]-N-(3-morpholinopropyl)-1H-pyrrole-2-carboxamide, 4-(4-tert-butylbenzoyl)-N-[3-(morpholin-4-yl)propyl]-1H-pyrrole-2-carboxamide, 4-(4-tert-butylbenzoyl)-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-2-carboxamide, 4-(4-tert-butylbenzoyl)-N-(3-morpholinopropyl)-1H-pyrrole-2-carboxamide
| Molecular Formula | C23H31N3O3 |
|---|---|
| Molecular Weight | 397.24 g/mol |
| LogP | 2.9953 |
| Topological Polar Surface Area | 74.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 397.23654 |
| Heavy Atoms | 29 |
| Complexity | 827.7981 |
Chemical Identifiers
| CAS Number | 439111-50-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)C2=CNC(=C2)C(=O)NCCCN3CCOCC3 |
Product Overview
4-[4-(tert-butyl)benzoyl]-N-(3-morpholinopropyl)-1H-pyrrole-2-carboxamide (CAS 439111-50-9), with molecular formula C23H31N3O3 and molecular weight 397.24 g/mol. IUPAC: 4-(4-tert-butylbenzoyl)-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-2-carboxamide.
Chemical Property Profile of 4-[4-(tert-butyl)benzoyl]-N-(3-morpholinopropyl)-1H-pyrrole-2-carboxamide
Property Insights of 4-[4-(tert-butyl)benzoyl]-N-(3-morpholinopropyl)-1H-pyrrole-2-carboxamide
The XLogP value of 2.9953 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[4-(tert-butyl)benzoyl]-N-(3-morpholinopropyl)-1H-pyrrole-2-carboxamide. The TPSA of 74.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[4-(tert-butyl)benzoyl]-N-(3-morpholinopropyl)-1H-pyrrole-2-carboxamide. Following Lipinski's Rule of Five, 4-[4-(tert-butyl)benzoyl]-N-(3-morpholinopropyl)-1H-pyrrole-2-carboxamide has 2 hydrogen bond donor(s) and 4 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 4-[4-(tert-butyl)benzoyl]-N-(3-morpholinopropyl)-1H-pyrrole-2-carboxamide?
The CAS number of 4-[4-(tert-butyl)benzoyl]-N-(3-morpholinopropyl)-1H-pyrrole-2-carboxamide is 439111-50-9.
What is the molecular formula of 4-[4-(tert-butyl)benzoyl]-N-(3-morpholinopropyl)-1H-pyrrole-2-carboxamide?
The molecular formula of 4-[4-(tert-butyl)benzoyl]-N-(3-morpholinopropyl)-1H-pyrrole-2-carboxamide is C23H31N3O3.
What is the molecular weight of 4-[4-(tert-butyl)benzoyl]-N-(3-morpholinopropyl)-1H-pyrrole-2-carboxamide?
The molecular weight of 4-[4-(tert-butyl)benzoyl]-N-(3-morpholinopropyl)-1H-pyrrole-2-carboxamide is 397.24 g/mol.
Where can I buy 4-[4-(tert-butyl)benzoyl]-N-(3-morpholinopropyl)-1H-pyrrole-2-carboxamide?
You can request a quote for 4-[4-(tert-butyl)benzoyl]-N-(3-morpholinopropyl)-1H-pyrrole-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[4-(tert-butyl)benzoyl]-N-(3-morpholinopropyl)-1H-pyrrole-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-(tert-butyl)benzoyl]-N-(3-morpholinopropyl)-1H-pyrrole-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.