Ethyl 5-iodo-2,4-dimethyl-1H-pyrrole-3-carboxylate
TL;DR: Ethyl 5-iodo-2,4-dimethyl-1H-pyrrole-3-carboxylate (CAS 5430-79-5) is a chemical compound with molecular formula C9H12INO2 and molecular weight 292.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-iodo-2,4-dimethyl-1H-pyrrole-3-carboxylate
Also Known As: ethyl 5-iodo-2,4-dimethyl-1h-pyrrole-3-carboxylate, ethyl 2-iodo-3,5-dimethylpyrrole-4-carboxylate, 2-Iod-3,5-dimethylpyrrol-3-carbonsaeureethylester, 5-iodo-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester, RefChem:344381
| Molecular Formula | C9H12INO2 |
|---|---|
| Molecular Weight | 292.99 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 292.99127 |
| Heavy Atoms | 13 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 5430-79-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C1C)I)C |
| InChIKey | JDALSIJMOYCBTO-UHFFFAOYSA-N |
Product Overview
Ethyl 5-iodo-2,4-dimethyl-1H-pyrrole-3-carboxylate (CAS 5430-79-5), with molecular formula C9H12INO2 and molecular weight 292.99 g/mol. IUPAC: ethyl 5-iodo-2,4-dimethyl-1H-pyrrole-3-carboxylate.
Chemical Property Profile of Ethyl 5-iodo-2,4-dimethyl-1H-pyrrole-3-carboxylate
Property Insights of Ethyl 5-iodo-2,4-dimethyl-1H-pyrrole-3-carboxylate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-iodo-2,4-dimethyl-1H-pyrrole-3-carboxylate. With a topological polar surface area (TPSA) of 42.1 Ų, Ethyl 5-iodo-2,4-dimethyl-1H-pyrrole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-iodo-2,4-dimethyl-1H-pyrrole-3-carboxylate has 1 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 5-iodo-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The CAS number of Ethyl 5-iodo-2,4-dimethyl-1H-pyrrole-3-carboxylate is 5430-79-5.
What is the molecular formula of Ethyl 5-iodo-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The molecular formula of Ethyl 5-iodo-2,4-dimethyl-1H-pyrrole-3-carboxylate is C9H12INO2.
What is the molecular weight of Ethyl 5-iodo-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The molecular weight of Ethyl 5-iodo-2,4-dimethyl-1H-pyrrole-3-carboxylate is 292.99 g/mol.
Where can I buy Ethyl 5-iodo-2,4-dimethyl-1H-pyrrole-3-carboxylate?
You can request a quote for Ethyl 5-iodo-2,4-dimethyl-1H-pyrrole-3-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-iodo-2,4-dimethyl-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-iodo-2,4-dimethyl-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.