![ethyl 5-[(acetyloxy)methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate structure](/static/products/1006/100619-73-6.webp)
ethyl 5-[(acetyloxy)methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate
TL;DR: ethyl 5-[(acetyloxy)methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate (CAS 100619-73-6) is a chemical compound with molecular formula C13H19NO4 and molecular weight 253.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(acetyloxymethyl)-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate
Also Known As: ethyl 5-[(acetyloxy)methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate, ethyl 5-(acetoxymethyl)-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate, ethyl 5-(acetyloxymethyl)-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate, J2.252.128D, 5-[(Acetyloxy)methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid ethyl ester
| Molecular Formula | C13H19NO4 |
|---|---|
| Molecular Weight | 253.13 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 68.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 253.13141 |
| Heavy Atoms | 18 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 100619-73-6 |
|---|---|
| SMILES | CCC1=C(NC(=C1C)C(=O)OCC)COC(=O)C |
| InChIKey | GQRDHGBHCWLNQG-UHFFFAOYSA-N |
Product Overview
ethyl 5-[(acetyloxy)methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate (CAS 100619-73-6), with molecular formula C13H19NO4 and molecular weight 253.13 g/mol. IUPAC: ethyl 5-(acetyloxymethyl)-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of ethyl 5-[(acetyloxy)methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate
Property Insights of ethyl 5-[(acetyloxy)methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5-[(acetyloxy)methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate. The TPSA of 68.4 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-[(acetyloxy)methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate. Following Lipinski's Rule of Five, ethyl 5-[(acetyloxy)methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate has 1 hydrogen bond donor(s) and 4 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-[(acetyloxy)methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate?
The CAS number of ethyl 5-[(acetyloxy)methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate is 100619-73-6.
What is the molecular formula of ethyl 5-[(acetyloxy)methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate?
The molecular formula of ethyl 5-[(acetyloxy)methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate is C13H19NO4.
What is the molecular weight of ethyl 5-[(acetyloxy)methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate?
The molecular weight of ethyl 5-[(acetyloxy)methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate is 253.13 g/mol.
Where can I buy ethyl 5-[(acetyloxy)methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate?
You can request a quote for ethyl 5-[(acetyloxy)methyl]-4-ethyl-3-methyl-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 5-[(acetyloxy)methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-[(acetyloxy)methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.