ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate
TL;DR: ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate (CAS 2199-59-9) is a chemical compound with molecular formula C10H13NO3 and molecular weight 195.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate
Also Known As: Ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate, Methyl syringate, 5-Formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester, Sunitinib Impurity 38, Sunitinib Impurity 52
| Molecular Formula | C10H13NO3 |
|---|---|
| Molecular Weight | 195.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 59.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 195.08954 |
| Heavy Atoms | 14 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 2199-59-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C1C)C=O)C |
| InChIKey | GDISALBEIGGPER-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate (CAS 2199-59-9), with molecular formula C10H13NO3 and molecular weight 195.09 g/mol. IUPAC: ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate.
Chemical Property Profile of ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate
Property Insights of ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate. With a topological polar surface area (TPSA) of 59.2 Ų, ethyl 5-formyl-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-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate has 1 hydrogen bond donor(s) and 3 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-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The CAS number of ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate is 2199-59-9.
What is the molecular formula of ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The molecular formula of ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate is C10H13NO3.
What is the molecular weight of ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The molecular weight of ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate is 195.09 g/mol.
Where can I buy ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate?
You can request a quote for ethyl 5-formyl-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-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.