Ethyl 2,5-dihydro-1h-pyrrole-1-carboxylate
TL;DR: Ethyl 2,5-dihydro-1h-pyrrole-1-carboxylate (CAS 89693-67-4) is a chemical compound with molecular formula C7H11NO2 and molecular weight 141.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,5-dihydropyrrole-1-carboxylate
Also Known As: ethyl 2,5-dihydro-1h-pyrrole-1-carboxylate, 3-pyrroline-1-ethylcarboxylate, NCIOpen2_000207, ethyl 2,5-dihydropyrrole-1-carboxylate, 3-Pyrroline-1-carboxylic acid ethyl ester
| Molecular Formula | C7H11NO2 |
|---|---|
| Molecular Weight | 141.08 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 141.07898 |
| Heavy Atoms | 10 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 89693-67-4 |
|---|---|
| SMILES | CCOC(=O)N1CC=CC1 |
| InChIKey | WBMSKAUUSANFMN-UHFFFAOYSA-N |
Product Overview
Ethyl 2,5-dihydro-1h-pyrrole-1-carboxylate (CAS 89693-67-4), with molecular formula C7H11NO2 and molecular weight 141.08 g/mol. IUPAC: ethyl 2,5-dihydropyrrole-1-carboxylate.
Chemical Property Profile of Ethyl 2,5-dihydro-1h-pyrrole-1-carboxylate
Property Insights of Ethyl 2,5-dihydro-1h-pyrrole-1-carboxylate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2,5-dihydro-1h-pyrrole-1-carboxylate. With a topological polar surface area (TPSA) of 29.5 Ų, Ethyl 2,5-dihydro-1h-pyrrole-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2,5-dihydro-1h-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 2,5-dihydro-1h-pyrrole-1-carboxylate?
The CAS number of Ethyl 2,5-dihydro-1h-pyrrole-1-carboxylate is 89693-67-4.
What is the molecular formula of Ethyl 2,5-dihydro-1h-pyrrole-1-carboxylate?
The molecular formula of Ethyl 2,5-dihydro-1h-pyrrole-1-carboxylate is C7H11NO2.
What is the molecular weight of Ethyl 2,5-dihydro-1h-pyrrole-1-carboxylate?
The molecular weight of Ethyl 2,5-dihydro-1h-pyrrole-1-carboxylate is 141.08 g/mol.
Where can I buy Ethyl 2,5-dihydro-1h-pyrrole-1-carboxylate?
You can request a quote for Ethyl 2,5-dihydro-1h-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 2,5-dihydro-1h-pyrrole-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,5-dihydro-1h-pyrrole-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.