ethyl 4-formyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
TL;DR: ethyl 4-formyl-3,5-dimethyl-1H-pyrrole-2-carboxylate (CAS 2199-64-6) 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 4-formyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: ethyl 4-formyl-3,5-dimethyl-1H-pyrrole-2-carboxylate, 4-Formyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester, ethyl 3,5-dimethyl-4-formylpyrrole-2-carboxylate, 4-formyl-3,5-dimethyl-1H-pyrrole-2-carboxylic Acid, BAS 03185392
| 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 | 2199-64-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(N1)C)C=O)C |
| InChIKey | CLJUICOFPKFFGJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ethyl 4-formyl-3,5-dimethyl-1H-pyrrole-2-carboxylate (CAS 2199-64-6), with molecular formula C10H13NO3 and molecular weight 195.09 g/mol. IUPAC: ethyl 4-formyl-3,5-dimethyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of ethyl 4-formyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Property Insights of ethyl 4-formyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-formyl-3,5-dimethyl-1H-pyrrole-2-carboxylate. With a topological polar surface area (TPSA) of 59.2 Ų, ethyl 4-formyl-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-formyl-3,5-dimethyl-1H-pyrrole-2-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 4-formyl-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The CAS number of ethyl 4-formyl-3,5-dimethyl-1H-pyrrole-2-carboxylate is 2199-64-6.
What is the molecular formula of ethyl 4-formyl-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The molecular formula of ethyl 4-formyl-3,5-dimethyl-1H-pyrrole-2-carboxylate is C10H13NO3.
What is the molecular weight of ethyl 4-formyl-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The molecular weight of ethyl 4-formyl-3,5-dimethyl-1H-pyrrole-2-carboxylate is 195.09 g/mol.
Where can I buy ethyl 4-formyl-3,5-dimethyl-1H-pyrrole-2-carboxylate?
You can request a quote for ethyl 4-formyl-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-formyl-3,5-dimethyl-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-formyl-3,5-dimethyl-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.