Benzyl 4-ethyl-5-formyl-3-methyl-2-pyrrolecarboxylate
TL;DR: Benzyl 4-ethyl-5-formyl-3-methyl-2-pyrrolecarboxylate (CAS 965-20-8) is a chemical compound with molecular formula C16H17NO3 and molecular weight 271.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 4-ethyl-5-formyl-3-methyl-1H-pyrrole-2-carboxylate
Also Known As: benzyl 4-ethyl-5-formyl-3-methyl-1H-pyrrole-2-carboxylate, J1.747.116C, BENZYL 4-ETHYL-5-FORMYL-3-METHYL-2-PYRROLECARBOXYLATE, A1941/0081572, 3-Methyl-4-ethyl-5-formyl-1H-pyrrole-2-carboxylic acid benzyl ester
| Molecular Formula | C16H17NO3 |
|---|---|
| Molecular Weight | 271.12 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 59.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 271.12085 |
| Heavy Atoms | 20 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 965-20-8 |
|---|---|
| SMILES | CCC1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)C=O |
| InChIKey | XVXYAGCYQBAFHM-UHFFFAOYSA-N |
Product Overview
Benzyl 4-ethyl-5-formyl-3-methyl-2-pyrrolecarboxylate (CAS 965-20-8), with molecular formula C16H17NO3 and molecular weight 271.12 g/mol. IUPAC: benzyl 4-ethyl-5-formyl-3-methyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of Benzyl 4-ethyl-5-formyl-3-methyl-2-pyrrolecarboxylate
Property Insights of Benzyl 4-ethyl-5-formyl-3-methyl-2-pyrrolecarboxylate
The XLogP value of 3.3 indicates that Benzyl 4-ethyl-5-formyl-3-methyl-2-pyrrolecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.2 Ų, Benzyl 4-ethyl-5-formyl-3-methyl-2-pyrrolecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 4-ethyl-5-formyl-3-methyl-2-pyrrolecarboxylate 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 Benzyl 4-ethyl-5-formyl-3-methyl-2-pyrrolecarboxylate?
The CAS number of Benzyl 4-ethyl-5-formyl-3-methyl-2-pyrrolecarboxylate is 965-20-8.
What is the molecular formula of Benzyl 4-ethyl-5-formyl-3-methyl-2-pyrrolecarboxylate?
The molecular formula of Benzyl 4-ethyl-5-formyl-3-methyl-2-pyrrolecarboxylate is C16H17NO3.
What is the molecular weight of Benzyl 4-ethyl-5-formyl-3-methyl-2-pyrrolecarboxylate?
The molecular weight of Benzyl 4-ethyl-5-formyl-3-methyl-2-pyrrolecarboxylate is 271.12 g/mol.
Where can I buy Benzyl 4-ethyl-5-formyl-3-methyl-2-pyrrolecarboxylate?
You can request a quote for Benzyl 4-ethyl-5-formyl-3-methyl-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 4-ethyl-5-formyl-3-methyl-2-pyrrolecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 4-ethyl-5-formyl-3-methyl-2-pyrrolecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.