Ethyl pyrrole-1-carboxylate
TL;DR: Ethyl pyrrole-1-carboxylate (CAS 4277-64-9) is a chemical compound with molecular formula C7H9NO2 and molecular weight 139.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl pyrrole-1-carboxylate
Also Known As: ethyl pyrrole-1-carboxylate, ethyl 1h-pyrrole-1-carboxylate, N-carbethoxypyrrole, N-carboethoxy pyrrole, ethyl1h-pyrrole-1-carboxylate
| Molecular Formula | C7H9NO2 |
|---|---|
| Molecular Weight | 139.06 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 31.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 139.06332 |
| Heavy Atoms | 10 |
| Complexity | 119.0 |
Chemical Identifiers
| CAS Number | 4277-64-9 |
|---|---|
| SMILES | CCOC(=O)N1C=CC=C1 |
| InChIKey | YHANFZMYRFWIID-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl pyrrole-1-carboxylate (CAS 4277-64-9), with molecular formula C7H9NO2 and molecular weight 139.06 g/mol. IUPAC: ethyl pyrrole-1-carboxylate.
Chemical Property Profile of Ethyl pyrrole-1-carboxylate
Property Insights of Ethyl pyrrole-1-carboxylate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl pyrrole-1-carboxylate. With a topological polar surface area (TPSA) of 31.2 Ų, Ethyl pyrrole-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl pyrrole-1-carboxylate has 0 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 Ethyl pyrrole-1-carboxylate?
The CAS number of Ethyl pyrrole-1-carboxylate is 4277-64-9.
What is the molecular formula of Ethyl pyrrole-1-carboxylate?
The molecular formula of Ethyl pyrrole-1-carboxylate is C7H9NO2.
What is the molecular weight of Ethyl pyrrole-1-carboxylate?
The molecular weight of Ethyl pyrrole-1-carboxylate is 139.06 g/mol.
Where can I buy Ethyl pyrrole-1-carboxylate?
You can request a quote for Ethyl pyrrole-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl pyrrole-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl pyrrole-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.