Ethyl 4-iodo-1-methyl-5-(3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylate
TL;DR: Ethyl 4-iodo-1-methyl-5-(3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylate (CAS 724743-72-0) is a chemical compound with molecular formula C12H13IN2O3 and molecular weight 360.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-iodo-1-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrrole-2-carboxylate
Also Known As: NCI60_033327, Ethyl 4-iodo-1-methyl-5-(3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylate, AQ-776/42801773, ethyl 4-iodo-1-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrrole-2-carboxylate, ethyl 4-iodo-1-methyl-5-(3-methylisoxazol-5-yl)-1h-pyrrole-2-carboxylate
| Molecular Formula | C12H13IN2O3 |
|---|---|
| Molecular Weight | 360.00 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 57.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 359.9971 |
| Heavy Atoms | 18 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 724743-72-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(N1C)C2=CC(=NO2)C)I |
| InChIKey | RLDDOOILKIVGEU-UHFFFAOYSA-N |
Product Overview
Ethyl 4-iodo-1-methyl-5-(3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylate (CAS 724743-72-0), with molecular formula C12H13IN2O3 and molecular weight 360.00 g/mol. IUPAC: ethyl 4-iodo-1-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrrole-2-carboxylate.
Chemical Property Profile of Ethyl 4-iodo-1-methyl-5-(3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylate
Property Insights of Ethyl 4-iodo-1-methyl-5-(3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-iodo-1-methyl-5-(3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylate. With a topological polar surface area (TPSA) of 57.3 Ų, Ethyl 4-iodo-1-methyl-5-(3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-iodo-1-methyl-5-(3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylate has 0 hydrogen bond donor(s) and 4 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-1-methyl-5-(3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylate?
The CAS number of Ethyl 4-iodo-1-methyl-5-(3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylate is 724743-72-0.
What is the molecular formula of Ethyl 4-iodo-1-methyl-5-(3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylate?
The molecular formula of Ethyl 4-iodo-1-methyl-5-(3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylate is C12H13IN2O3.
What is the molecular weight of Ethyl 4-iodo-1-methyl-5-(3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylate?
The molecular weight of Ethyl 4-iodo-1-methyl-5-(3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylate is 360.00 g/mol.
Where can I buy Ethyl 4-iodo-1-methyl-5-(3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylate?
You can request a quote for Ethyl 4-iodo-1-methyl-5-(3-methyl-5-isoxazolyl)-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-1-methyl-5-(3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-iodo-1-methyl-5-(3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.