Benzyl 3,5-dimethyl-4-ethyl-2-pyrrolecarboxylate
TL;DR: Benzyl 3,5-dimethyl-4-ethyl-2-pyrrolecarboxylate (CAS 58557-62-3) is a chemical compound with molecular formula C16H19NO2 and molecular weight 257.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 4-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: Benzyl 4-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate, TimTec1_005534, BAS 00379467, 4-Ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid benzyl ester, BENZYL 3,5-DIMETHYL-4-ETHYL-2-PYRROLECARBOXYLATE
| Molecular Formula | C16H19NO2 |
|---|---|
| Molecular Weight | 257.14 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 257.14157 |
| Heavy Atoms | 19 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 58557-62-3 |
|---|---|
| SMILES | CCC1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)C |
| InChIKey | HQVVEVXUDZVUAX-UHFFFAOYSA-N |
Product Overview
Benzyl 3,5-dimethyl-4-ethyl-2-pyrrolecarboxylate (CAS 58557-62-3), with molecular formula C16H19NO2 and molecular weight 257.14 g/mol. IUPAC: benzyl 4-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of Benzyl 3,5-dimethyl-4-ethyl-2-pyrrolecarboxylate
Property Insights of Benzyl 3,5-dimethyl-4-ethyl-2-pyrrolecarboxylate
The XLogP value of 4.0 indicates that Benzyl 3,5-dimethyl-4-ethyl-2-pyrrolecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.1 Ų, Benzyl 3,5-dimethyl-4-ethyl-2-pyrrolecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 3,5-dimethyl-4-ethyl-2-pyrrolecarboxylate has 1 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 Benzyl 3,5-dimethyl-4-ethyl-2-pyrrolecarboxylate?
The CAS number of Benzyl 3,5-dimethyl-4-ethyl-2-pyrrolecarboxylate is 58557-62-3.
What is the molecular formula of Benzyl 3,5-dimethyl-4-ethyl-2-pyrrolecarboxylate?
The molecular formula of Benzyl 3,5-dimethyl-4-ethyl-2-pyrrolecarboxylate is C16H19NO2.
What is the molecular weight of Benzyl 3,5-dimethyl-4-ethyl-2-pyrrolecarboxylate?
The molecular weight of Benzyl 3,5-dimethyl-4-ethyl-2-pyrrolecarboxylate is 257.14 g/mol.
Where can I buy Benzyl 3,5-dimethyl-4-ethyl-2-pyrrolecarboxylate?
You can request a quote for Benzyl 3,5-dimethyl-4-ethyl-2-pyrrolecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 3,5-dimethyl-4-ethyl-2-pyrrolecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 3,5-dimethyl-4-ethyl-2-pyrrolecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.