4-(2-Diethylamino-ethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid benzyl ester
TL;DR: 4-(2-Diethylamino-ethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid benzyl ester (CAS 6225-44-1) is a chemical compound with molecular formula C20H29BrN2O2 and molecular weight 408.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 4-[2-(diethylamino)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate;hydrobromide
Also Known As: 4-(2-Diethylamino-ethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid benzyl ester, benzyl 4-(2-(diethylamino)ethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate hydrobromide, benzyl 4-(2-diethylaminoethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate hydrobromide
| Molecular Formula | C20H29BrN2O2 |
|---|---|
| Molecular Weight | 408.14 g/mol |
| LogP | 4.45074 |
| Topological Polar Surface Area | 45.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 408.14124 |
| Heavy Atoms | 25 |
| Complexity | 663.8357 |
Chemical Identifiers
| CAS Number | 6225-44-1 |
|---|---|
| SMILES | CCN(CC)CCC1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)C.Br |
Product Overview
4-(2-Diethylamino-ethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid benzyl ester (CAS 6225-44-1), with molecular formula C20H29BrN2O2 and molecular weight 408.14 g/mol. IUPAC: benzyl 4-[2-(diethylamino)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate;hydrobromide.
Chemical Property Profile of 4-(2-Diethylamino-ethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid benzyl ester
Property Insights of 4-(2-Diethylamino-ethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid benzyl ester
The XLogP value of 4.45074 indicates that 4-(2-Diethylamino-ethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid benzyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.33 Ų, 4-(2-Diethylamino-ethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid benzyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-Diethylamino-ethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid benzyl ester has 1 hydrogen bond donor(s) and 3 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-(2-Diethylamino-ethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid benzyl ester?
The CAS number of 4-(2-Diethylamino-ethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid benzyl ester is 6225-44-1.
What is the molecular formula of 4-(2-Diethylamino-ethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid benzyl ester?
The molecular formula of 4-(2-Diethylamino-ethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid benzyl ester is C20H29BrN2O2.
What is the molecular weight of 4-(2-Diethylamino-ethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid benzyl ester?
The molecular weight of 4-(2-Diethylamino-ethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid benzyl ester is 408.14 g/mol.
Where can I buy 4-(2-Diethylamino-ethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid benzyl ester?
You can request a quote for 4-(2-Diethylamino-ethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid benzyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Diethylamino-ethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid benzyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Diethylamino-ethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid benzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.