Ethyl 4-iodo-3,5-dimethyl-1h-pyrrole-2-carboxylate
TL;DR: Ethyl 4-iodo-3,5-dimethyl-1h-pyrrole-2-carboxylate (CAS 10102-25-7) 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 4-iodo-3,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: ethyl 4-iodo-3,5-dimethyl-1h-pyrrole-2-carboxylate, ethyl 3,5-dimethyl-4-iodo-pyrrolecarboxylate, ethyl4-iodo-3,5-dimethyl-1H-pyrrole-2-carboxylate, RefChem:344019
| Molecular Formula | C9H12INO2 |
|---|---|
| Molecular Weight | 292.99 g/mol |
| LogP | 2.7 |
| 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 | 10102-25-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(N1)C)I)C |
| InChIKey | IYNPYGLPQFVPSC-UHFFFAOYSA-N |
Product Overview
Ethyl 4-iodo-3,5-dimethyl-1h-pyrrole-2-carboxylate (CAS 10102-25-7), with molecular formula C9H12INO2 and molecular weight 292.99 g/mol. IUPAC: ethyl 4-iodo-3,5-dimethyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of Ethyl 4-iodo-3,5-dimethyl-1h-pyrrole-2-carboxylate
Property Insights of Ethyl 4-iodo-3,5-dimethyl-1h-pyrrole-2-carboxylate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-iodo-3,5-dimethyl-1h-pyrrole-2-carboxylate. With a topological polar surface area (TPSA) of 42.1 Ų, Ethyl 4-iodo-3,5-dimethyl-1h-pyrrole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-iodo-3,5-dimethyl-1h-pyrrole-2-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 4-iodo-3,5-dimethyl-1h-pyrrole-2-carboxylate?
The CAS number of Ethyl 4-iodo-3,5-dimethyl-1h-pyrrole-2-carboxylate is 10102-25-7.
What is the molecular formula of Ethyl 4-iodo-3,5-dimethyl-1h-pyrrole-2-carboxylate?
The molecular formula of Ethyl 4-iodo-3,5-dimethyl-1h-pyrrole-2-carboxylate is C9H12INO2.
What is the molecular weight of Ethyl 4-iodo-3,5-dimethyl-1h-pyrrole-2-carboxylate?
The molecular weight of Ethyl 4-iodo-3,5-dimethyl-1h-pyrrole-2-carboxylate is 292.99 g/mol.
Where can I buy Ethyl 4-iodo-3,5-dimethyl-1h-pyrrole-2-carboxylate?
You can request a quote for Ethyl 4-iodo-3,5-dimethyl-1h-pyrrole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-iodo-3,5-dimethyl-1h-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-iodo-3,5-dimethyl-1h-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.