ethyl 3,5-dimethyl-4-(methylcarbamoyl)-1H-pyrrole-2-carboxylate
TL;DR: ethyl 3,5-dimethyl-4-(methylcarbamoyl)-1H-pyrrole-2-carboxylate (CAS 40593-52-0) is a chemical compound with molecular formula C11H16N2O3 and molecular weight 224.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,5-dimethyl-4-(methylcarbamoyl)-1H-pyrrole-2-carboxylate
Also Known As: IFLab1_002898, IDI1_009357, ethyl 3,5-dimethyl-4-(methylcarbamoyl)-1H-pyrrole-2-carboxylate, F0672-0053, ethyl 3,5-dimethyl-4-[(methylamino)carbonyl]-1H-pyrrole-2-carboxylate
| Molecular Formula | C11H16N2O3 |
|---|---|
| Molecular Weight | 224.12 g/mol |
| LogP | 1.16784 |
| Topological Polar Surface Area | 71.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.11609 |
| Heavy Atoms | 16 |
| Complexity | 421.1093 |
Chemical Identifiers
| CAS Number | 40593-52-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(N1)C)C(=O)NC)C |
Product Overview
ethyl 3,5-dimethyl-4-(methylcarbamoyl)-1H-pyrrole-2-carboxylate (CAS 40593-52-0), with molecular formula C11H16N2O3 and molecular weight 224.12 g/mol. IUPAC: ethyl 3,5-dimethyl-4-(methylcarbamoyl)-1H-pyrrole-2-carboxylate.
Chemical Property Profile of ethyl 3,5-dimethyl-4-(methylcarbamoyl)-1H-pyrrole-2-carboxylate
Property Insights of ethyl 3,5-dimethyl-4-(methylcarbamoyl)-1H-pyrrole-2-carboxylate
The XLogP value of 1.16784 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3,5-dimethyl-4-(methylcarbamoyl)-1H-pyrrole-2-carboxylate. The TPSA of 71.19 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3,5-dimethyl-4-(methylcarbamoyl)-1H-pyrrole-2-carboxylate. Following Lipinski's Rule of Five, ethyl 3,5-dimethyl-4-(methylcarbamoyl)-1H-pyrrole-2-carboxylate has 2 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 3,5-dimethyl-4-(methylcarbamoyl)-1H-pyrrole-2-carboxylate?
The CAS number of ethyl 3,5-dimethyl-4-(methylcarbamoyl)-1H-pyrrole-2-carboxylate is 40593-52-0.
What is the molecular formula of ethyl 3,5-dimethyl-4-(methylcarbamoyl)-1H-pyrrole-2-carboxylate?
The molecular formula of ethyl 3,5-dimethyl-4-(methylcarbamoyl)-1H-pyrrole-2-carboxylate is C11H16N2O3.
What is the molecular weight of ethyl 3,5-dimethyl-4-(methylcarbamoyl)-1H-pyrrole-2-carboxylate?
The molecular weight of ethyl 3,5-dimethyl-4-(methylcarbamoyl)-1H-pyrrole-2-carboxylate is 224.12 g/mol.
Where can I buy ethyl 3,5-dimethyl-4-(methylcarbamoyl)-1H-pyrrole-2-carboxylate?
You can request a quote for ethyl 3,5-dimethyl-4-(methylcarbamoyl)-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 3,5-dimethyl-4-(methylcarbamoyl)-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3,5-dimethyl-4-(methylcarbamoyl)-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.