1H-Pyrrole-2-carboxylic acid, 5-iodo-3,4-dimethyl-, ethyl ester
TL;DR: 1H-Pyrrole-2-carboxylic acid, 5-iodo-3,4-dimethyl-, ethyl ester (CAS 4391-95-1) 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-3,4-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: Ethyl 5-iodo-3,4-dimethyl-1H-pyrrole-2-carboxylate, ethyl 3,4-dimethyl-5-iodopyrrole-2-carboxylate, 1H-Pyrrole-2-carboxylic acid, 5-iodo-3,4-dimethyl-, ethyl ester, 3,4-Dimethyl-5-iodo-1H-pyrrole-2-carboxylic acid ethyl ester, RefChem:240524
| Molecular Formula | C9H12INO2 |
|---|---|
| Molecular Weight | 292.99 g/mol |
| LogP | 2.41284 |
| Topological Polar Surface Area | 42.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 292.99127 |
| Heavy Atoms | 13 |
| Complexity | 330.60086 |
Chemical Identifiers
| CAS Number | 4391-95-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(N1)I)C)C |
Product Overview
1H-Pyrrole-2-carboxylic acid, 5-iodo-3,4-dimethyl-, ethyl ester (CAS 4391-95-1), with molecular formula C9H12INO2 and molecular weight 292.99 g/mol. IUPAC: ethyl 5-iodo-3,4-dimethyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of 1H-Pyrrole-2-carboxylic acid, 5-iodo-3,4-dimethyl-, ethyl ester
Property Insights of 1H-Pyrrole-2-carboxylic acid, 5-iodo-3,4-dimethyl-, ethyl ester
The XLogP value of 2.41284 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrole-2-carboxylic acid, 5-iodo-3,4-dimethyl-, ethyl ester. With a topological polar surface area (TPSA) of 42.09 Ų, 1H-Pyrrole-2-carboxylic acid, 5-iodo-3,4-dimethyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrrole-2-carboxylic acid, 5-iodo-3,4-dimethyl-, ethyl ester 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 1H-Pyrrole-2-carboxylic acid, 5-iodo-3,4-dimethyl-, ethyl ester?
The CAS number of 1H-Pyrrole-2-carboxylic acid, 5-iodo-3,4-dimethyl-, ethyl ester is 4391-95-1.
What is the molecular formula of 1H-Pyrrole-2-carboxylic acid, 5-iodo-3,4-dimethyl-, ethyl ester?
The molecular formula of 1H-Pyrrole-2-carboxylic acid, 5-iodo-3,4-dimethyl-, ethyl ester is C9H12INO2.
What is the molecular weight of 1H-Pyrrole-2-carboxylic acid, 5-iodo-3,4-dimethyl-, ethyl ester?
The molecular weight of 1H-Pyrrole-2-carboxylic acid, 5-iodo-3,4-dimethyl-, ethyl ester is 292.99 g/mol.
Where can I buy 1H-Pyrrole-2-carboxylic acid, 5-iodo-3,4-dimethyl-, ethyl ester?
You can request a quote for 1H-Pyrrole-2-carboxylic acid, 5-iodo-3,4-dimethyl-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrrole-2-carboxylic acid, 5-iodo-3,4-dimethyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrole-2-carboxylic acid, 5-iodo-3,4-dimethyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.