ethyl (2-formyl-1H-pyrrol-1-yl)acetate
TL;DR: ethyl (2-formyl-1H-pyrrol-1-yl)acetate (CAS 70582-73-9) is a chemical compound with molecular formula C9H11NO3 and molecular weight 181.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2-formylpyrrol-1-yl)acetate
Also Known As: ethyl (2-formyl-1H-pyrrol-1-yl)acetate, Ethyl 2-(2-formyl-1H-pyrrol-1-yl)acetate, ethyl 2-(2-formylpyrrol-1-yl)acetate, Ethyl2-(2-formyl-1H-pyrrol-1-yl)acetate, 1H-Pyrrole-1-acetic acid, 2-formyl-, ethyl ester
| Molecular Formula | C9H11NO3 |
|---|---|
| Molecular Weight | 181.07 g/mol |
| LogP | 0.8637 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 181.0739 |
| Heavy Atoms | 13 |
| Complexity | 303.5634 |
Chemical Identifiers
| CAS Number | 70582-73-9 |
|---|---|
| SMILES | CCOC(=O)CN1C=CC=C1C=O |
Product Overview
ethyl (2-formyl-1H-pyrrol-1-yl)acetate (CAS 70582-73-9), with molecular formula C9H11NO3 and molecular weight 181.07 g/mol. IUPAC: ethyl 2-(2-formylpyrrol-1-yl)acetate.
Chemical Property Profile of ethyl (2-formyl-1H-pyrrol-1-yl)acetate
Property Insights of ethyl (2-formyl-1H-pyrrol-1-yl)acetate
The XLogP value of 0.8637 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (2-formyl-1H-pyrrol-1-yl)acetate. With a topological polar surface area (TPSA) of 48.3 Ų, ethyl (2-formyl-1H-pyrrol-1-yl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl (2-formyl-1H-pyrrol-1-yl)acetate has 0 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 (2-formyl-1H-pyrrol-1-yl)acetate?
The CAS number of ethyl (2-formyl-1H-pyrrol-1-yl)acetate is 70582-73-9.
What is the molecular formula of ethyl (2-formyl-1H-pyrrol-1-yl)acetate?
The molecular formula of ethyl (2-formyl-1H-pyrrol-1-yl)acetate is C9H11NO3.
What is the molecular weight of ethyl (2-formyl-1H-pyrrol-1-yl)acetate?
The molecular weight of ethyl (2-formyl-1H-pyrrol-1-yl)acetate is 181.07 g/mol.
Where can I buy ethyl (2-formyl-1H-pyrrol-1-yl)acetate?
You can request a quote for ethyl (2-formyl-1H-pyrrol-1-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (2-formyl-1H-pyrrol-1-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (2-formyl-1H-pyrrol-1-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.