ethyl 4-(2-chloroacetyl)-1-ethyl-2,5-dimethyl-1H-pyrrole-3-carboxylate
TL;DR: ethyl 4-(2-chloroacetyl)-1-ethyl-2,5-dimethyl-1H-pyrrole-3-carboxylate (CAS 878218-29-2) is a chemical compound with molecular formula C13H18ClNO3 and molecular weight 271.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(2-chloroacetyl)-1-ethyl-2,5-dimethylpyrrole-3-carboxylate
Also Known As: ethyl 4-(2-chloroacetyl)-1-ethyl-2,5-dimethyl-1H-pyrrole-3-carboxylate, ethyl 4-(chloroacetyl)-1-ethyl-2,5-dimethyl-1H-pyrrole-3-carboxylate, ethyl 4-(2-chloroacetyl)-1-ethyl-2,5-dimethylpyrrole-3-carboxylate, ethyl 4-(2-chloroacetyl)-1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate, ethyl4-(2-chloroacetyl)-1-ethyl-2,5-dimethyl-1H-pyrrole-3-carboxylate
| Molecular Formula | C13H18ClNO3 |
|---|---|
| Molecular Weight | 271.10 g/mol |
| LogP | 2.72304 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 271.09753 |
| Heavy Atoms | 18 |
| Complexity | 477.07117 |
Chemical Identifiers
| CAS Number | 878218-29-2 |
|---|---|
| SMILES | CCN1C(=C(C(=C1C)C(=O)OCC)C(=O)CCl)C |
Product Overview
ethyl 4-(2-chloroacetyl)-1-ethyl-2,5-dimethyl-1H-pyrrole-3-carboxylate (CAS 878218-29-2), with molecular formula C13H18ClNO3 and molecular weight 271.10 g/mol. IUPAC: ethyl 4-(2-chloroacetyl)-1-ethyl-2,5-dimethylpyrrole-3-carboxylate.
Chemical Property Profile of ethyl 4-(2-chloroacetyl)-1-ethyl-2,5-dimethyl-1H-pyrrole-3-carboxylate
Property Insights of ethyl 4-(2-chloroacetyl)-1-ethyl-2,5-dimethyl-1H-pyrrole-3-carboxylate
The XLogP value of 2.72304 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-(2-chloroacetyl)-1-ethyl-2,5-dimethyl-1H-pyrrole-3-carboxylate. With a topological polar surface area (TPSA) of 48.3 Ų, ethyl 4-(2-chloroacetyl)-1-ethyl-2,5-dimethyl-1H-pyrrole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 4-(2-chloroacetyl)-1-ethyl-2,5-dimethyl-1H-pyrrole-3-carboxylate has 0 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-(2-chloroacetyl)-1-ethyl-2,5-dimethyl-1H-pyrrole-3-carboxylate?
The CAS number of ethyl 4-(2-chloroacetyl)-1-ethyl-2,5-dimethyl-1H-pyrrole-3-carboxylate is 878218-29-2.
What is the molecular formula of ethyl 4-(2-chloroacetyl)-1-ethyl-2,5-dimethyl-1H-pyrrole-3-carboxylate?
The molecular formula of ethyl 4-(2-chloroacetyl)-1-ethyl-2,5-dimethyl-1H-pyrrole-3-carboxylate is C13H18ClNO3.
What is the molecular weight of ethyl 4-(2-chloroacetyl)-1-ethyl-2,5-dimethyl-1H-pyrrole-3-carboxylate?
The molecular weight of ethyl 4-(2-chloroacetyl)-1-ethyl-2,5-dimethyl-1H-pyrrole-3-carboxylate is 271.10 g/mol.
Where can I buy ethyl 4-(2-chloroacetyl)-1-ethyl-2,5-dimethyl-1H-pyrrole-3-carboxylate?
You can request a quote for ethyl 4-(2-chloroacetyl)-1-ethyl-2,5-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 4-(2-chloroacetyl)-1-ethyl-2,5-dimethyl-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(2-chloroacetyl)-1-ethyl-2,5-dimethyl-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.