benzyl 3-ethyl-4,5-dimethyl-1H-pyrrole-2-carboxylate
TL;DR: benzyl 3-ethyl-4,5-dimethyl-1H-pyrrole-2-carboxylate (CAS 61538-85-0) 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 3-ethyl-4,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: Maybridge3_006085, benzyl 3-ethyl-4,5-dimethyl-1H-pyrrole-2-carboxylate, IDI1_017472, 1H-Pyrrole-2-carboxylic acid, 3-ethyl-4,5-dimethyl-, phenylmethyl ester, RefChem:328466
| Molecular Formula | C16H19NO2 |
|---|---|
| Molecular Weight | 257.14 g/mol |
| LogP | 3.55094 |
| Topological Polar Surface Area | 42.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 257.14157 |
| Heavy Atoms | 19 |
| Complexity | 569.93494 |
Chemical Identifiers
| CAS Number | 61538-85-0 |
|---|---|
| SMILES | CCC1=C(NC(=C1C)C)C(=O)OCC2=CC=CC=C2 |
Product Overview
benzyl 3-ethyl-4,5-dimethyl-1H-pyrrole-2-carboxylate (CAS 61538-85-0), with molecular formula C16H19NO2 and molecular weight 257.14 g/mol. IUPAC: benzyl 3-ethyl-4,5-dimethyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of benzyl 3-ethyl-4,5-dimethyl-1H-pyrrole-2-carboxylate
Property Insights of benzyl 3-ethyl-4,5-dimethyl-1H-pyrrole-2-carboxylate
The XLogP value of 3.55094 indicates that benzyl 3-ethyl-4,5-dimethyl-1H-pyrrole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.09 Ų, benzyl 3-ethyl-4,5-dimethyl-1H-pyrrole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, benzyl 3-ethyl-4,5-dimethyl-1H-pyrrole-2-carboxylate 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-ethyl-4,5-dimethyl-1H-pyrrole-2-carboxylate?
The CAS number of benzyl 3-ethyl-4,5-dimethyl-1H-pyrrole-2-carboxylate is 61538-85-0.
What is the molecular formula of benzyl 3-ethyl-4,5-dimethyl-1H-pyrrole-2-carboxylate?
The molecular formula of benzyl 3-ethyl-4,5-dimethyl-1H-pyrrole-2-carboxylate is C16H19NO2.
What is the molecular weight of benzyl 3-ethyl-4,5-dimethyl-1H-pyrrole-2-carboxylate?
The molecular weight of benzyl 3-ethyl-4,5-dimethyl-1H-pyrrole-2-carboxylate is 257.14 g/mol.
Where can I buy benzyl 3-ethyl-4,5-dimethyl-1H-pyrrole-2-carboxylate?
You can request a quote for benzyl 3-ethyl-4,5-dimethyl-1H-pyrrole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzyl 3-ethyl-4,5-dimethyl-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for benzyl 3-ethyl-4,5-dimethyl-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.