![Ethyl 5-[(acetyloxy)methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate structure](/static/products/618/61810-29-5.png)
Ethyl 5-[(acetyloxy)methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate
TL;DR: Ethyl 5-[(acetyloxy)methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate (CAS 61810-29-5) is a chemical compound with molecular formula C12H17NO4 and molecular weight 239.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(acetyloxymethyl)-3,4-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: ethyl 5-acetoxymethyl-3,4-dimethylpyrrole-2-carboxylate, 3,4-dimethyl-2-acetoxymethyl-5-ethoxycarbonylpyrrole, ethyl 5-(acetyloxymethyl)-3,4-dimethyl-1H-pyrrole-2-carboxylate, Ethyl 5-[(acetyloxy)methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate, 5-Acetyloxymethyl-3,4-dimethyl-1H-pyrrole-2-carboxylic acid, ethyl ester
| Molecular Formula | C12H17NO4 |
|---|---|
| Molecular Weight | 239.12 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 68.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 239.11575 |
| Heavy Atoms | 17 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 61810-29-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(N1)COC(=O)C)C)C |
| InChIKey | AYXUJSGYBCZSQW-UHFFFAOYSA-N |
Product Overview
Ethyl 5-[(acetyloxy)methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate (CAS 61810-29-5), with molecular formula C12H17NO4 and molecular weight 239.12 g/mol. IUPAC: ethyl 5-(acetyloxymethyl)-3,4-dimethyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of Ethyl 5-[(acetyloxy)methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate
Property Insights of Ethyl 5-[(acetyloxy)methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-[(acetyloxy)methyl]-3,4-dimethyl-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]-3,4-dimethyl-1H-pyrrole-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-[(acetyloxy)methyl]-3,4-dimethyl-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]-3,4-dimethyl-1H-pyrrole-2-carboxylate?
The CAS number of Ethyl 5-[(acetyloxy)methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate is 61810-29-5.
What is the molecular formula of Ethyl 5-[(acetyloxy)methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate?
The molecular formula of Ethyl 5-[(acetyloxy)methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate is C12H17NO4.
What is the molecular weight of Ethyl 5-[(acetyloxy)methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate?
The molecular weight of Ethyl 5-[(acetyloxy)methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate is 239.12 g/mol.
Where can I buy Ethyl 5-[(acetyloxy)methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate?
You can request a quote for Ethyl 5-[(acetyloxy)methyl]-3,4-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 5-[(acetyloxy)methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-[(acetyloxy)methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.