N-cycloheptyl-4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxamide
TL;DR: N-cycloheptyl-4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxamide (CAS 439096-45-4) is a chemical compound with molecular formula C18H28N2O2 and molecular weight 304.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-cycloheptyl-4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxamide
Also Known As: N-cycloheptyl-4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxamide
| Molecular Formula | C18H28N2O2 |
|---|---|
| Molecular Weight | 304.22 g/mol |
| LogP | 4.0862 |
| Topological Polar Surface Area | 61.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 304.2151 |
| Heavy Atoms | 22 |
| Complexity | 494.94037 |
Chemical Identifiers
| CAS Number | 439096-45-4 |
|---|---|
| SMILES | CCC(CC)C(=O)C1=CNC(=C1)C(=O)NC2CCCCCC2 |
Product Overview
N-cycloheptyl-4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxamide (CAS 439096-45-4), with molecular formula C18H28N2O2 and molecular weight 304.22 g/mol. IUPAC: N-cycloheptyl-4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxamide.
Chemical Property Profile of N-cycloheptyl-4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxamide
Property Insights of N-cycloheptyl-4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxamide
The XLogP value of 4.0862 indicates that N-cycloheptyl-4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.96 Ų falls within the moderate polarity range, balancing permeability and solubility for N-cycloheptyl-4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxamide. Following Lipinski's Rule of Five, N-cycloheptyl-4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxamide 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-cycloheptyl-4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxamide?
The CAS number of N-cycloheptyl-4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxamide is 439096-45-4.
What is the molecular formula of N-cycloheptyl-4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxamide?
The molecular formula of N-cycloheptyl-4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxamide is C18H28N2O2.
What is the molecular weight of N-cycloheptyl-4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxamide?
The molecular weight of N-cycloheptyl-4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxamide is 304.22 g/mol.
Where can I buy N-cycloheptyl-4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxamide?
You can request a quote for N-cycloheptyl-4-(2-ethylbutanoyl)-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 N-cycloheptyl-4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-cycloheptyl-4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.