ethyl 5-formyl-1H-pyrrole-2-carboxylate
TL;DR: ethyl 5-formyl-1H-pyrrole-2-carboxylate (CAS 7126-50-3) is a chemical compound with molecular formula C8H9NO3 and molecular weight 167.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-formyl-1H-pyrrole-2-carboxylate
Also Known As: ethyl 5-formyl-1H-pyrrole-2-carboxylate, ethyl 5-formylpyrrole-2-carboxylate, 4-CHLORO-7-BROMOINDOLE, 1H-Pyrrole-2-carboxylic acid, 5-formyl-, ethyl ester, 5-formyl-1H-pyrrole-2-carboxylic acid ethyl ester
| Molecular Formula | C8H9NO3 |
|---|---|
| Molecular Weight | 167.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 59.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 167.05824 |
| Heavy Atoms | 12 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 7126-50-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(N1)C=O |
| InChIKey | HTPFMOGFQKDFHX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ethyl 5-formyl-1H-pyrrole-2-carboxylate (CAS 7126-50-3), with molecular formula C8H9NO3 and molecular weight 167.06 g/mol. IUPAC: ethyl 5-formyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of ethyl 5-formyl-1H-pyrrole-2-carboxylate
Property Insights of ethyl 5-formyl-1H-pyrrole-2-carboxylate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5-formyl-1H-pyrrole-2-carboxylate. With a topological polar surface area (TPSA) of 59.2 Ų, ethyl 5-formyl-1H-pyrrole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 5-formyl-1H-pyrrole-2-carboxylate 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 ethyl 5-formyl-1H-pyrrole-2-carboxylate?
The CAS number of ethyl 5-formyl-1H-pyrrole-2-carboxylate is 7126-50-3.
What is the molecular formula of ethyl 5-formyl-1H-pyrrole-2-carboxylate?
The molecular formula of ethyl 5-formyl-1H-pyrrole-2-carboxylate is C8H9NO3.
What is the molecular weight of ethyl 5-formyl-1H-pyrrole-2-carboxylate?
The molecular weight of ethyl 5-formyl-1H-pyrrole-2-carboxylate is 167.06 g/mol.
Where can I buy ethyl 5-formyl-1H-pyrrole-2-carboxylate?
You can request a quote for ethyl 5-formyl-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 ethyl 5-formyl-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-formyl-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.