Ethyl 2,4-dimethyl-5-(dimethylcarbamoyl)-3-pyrrolecarboxylate
TL;DR: Ethyl 2,4-dimethyl-5-(dimethylcarbamoyl)-3-pyrrolecarboxylate (CAS 13219-75-5) is a chemical compound with molecular formula C12H18N2O3 and molecular weight 238.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(dimethylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
Also Known As: UPCMLD0ENAT5715645:001, Ethyl 5-(dimethylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate, ETHYL 2,4-DIMETHYL-5-(DIMETHYLCARBAMOYL)-3-PYRROLECARBOXYLATE, 660-800-6, RefChem:593476
| Molecular Formula | C12H18N2O3 |
|---|---|
| Molecular Weight | 238.13 g/mol |
| LogP | 1.51004 |
| Topological Polar Surface Area | 62.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.13174 |
| Heavy Atoms | 17 |
| Complexity | 446.84836 |
Chemical Identifiers
| CAS Number | 13219-75-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C1C)C(=O)N(C)C)C |
Product Overview
Ethyl 2,4-dimethyl-5-(dimethylcarbamoyl)-3-pyrrolecarboxylate (CAS 13219-75-5), with molecular formula C12H18N2O3 and molecular weight 238.13 g/mol. IUPAC: ethyl 5-(dimethylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate.
Chemical Property Profile of Ethyl 2,4-dimethyl-5-(dimethylcarbamoyl)-3-pyrrolecarboxylate
Property Insights of Ethyl 2,4-dimethyl-5-(dimethylcarbamoyl)-3-pyrrolecarboxylate
The XLogP value of 1.51004 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2,4-dimethyl-5-(dimethylcarbamoyl)-3-pyrrolecarboxylate. The TPSA of 62.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2,4-dimethyl-5-(dimethylcarbamoyl)-3-pyrrolecarboxylate. Following Lipinski's Rule of Five, Ethyl 2,4-dimethyl-5-(dimethylcarbamoyl)-3-pyrrolecarboxylate 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 2,4-dimethyl-5-(dimethylcarbamoyl)-3-pyrrolecarboxylate?
The CAS number of Ethyl 2,4-dimethyl-5-(dimethylcarbamoyl)-3-pyrrolecarboxylate is 13219-75-5.
What is the molecular formula of Ethyl 2,4-dimethyl-5-(dimethylcarbamoyl)-3-pyrrolecarboxylate?
The molecular formula of Ethyl 2,4-dimethyl-5-(dimethylcarbamoyl)-3-pyrrolecarboxylate is C12H18N2O3.
What is the molecular weight of Ethyl 2,4-dimethyl-5-(dimethylcarbamoyl)-3-pyrrolecarboxylate?
The molecular weight of Ethyl 2,4-dimethyl-5-(dimethylcarbamoyl)-3-pyrrolecarboxylate is 238.13 g/mol.
Where can I buy Ethyl 2,4-dimethyl-5-(dimethylcarbamoyl)-3-pyrrolecarboxylate?
You can request a quote for Ethyl 2,4-dimethyl-5-(dimethylcarbamoyl)-3-pyrrolecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2,4-dimethyl-5-(dimethylcarbamoyl)-3-pyrrolecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,4-dimethyl-5-(dimethylcarbamoyl)-3-pyrrolecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.