2,4-Dimethyl-5-(1-oxopropyl)1H-pyrrole-3-carboxylic acid ethyl ester
TL;DR: 2,4-Dimethyl-5-(1-oxopropyl)1H-pyrrole-3-carboxylic acid ethyl ester (CAS 78956-69-1) is a chemical compound with molecular formula C12H17NO3 and molecular weight 223.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,4-dimethyl-5-propanoyl-1H-pyrrole-3-carboxylate
Also Known As: Ethyl 2,4-dimethyl-5-propionyl-1H-pyrrole-3-carboxylate, 1663AC, ethyl 2,4-dimethyl-5-propanoyl-1H-pyrrole-3-carboxylate, 2,4-Dimethyl-5-(1-oxopropyl)1H-pyrrole-3-carboxylic acid ethyl ester, 2,4-dimethyl-5-propionyl-pyrrole-3-carboxylic acid ethyl ester
| Molecular Formula | C12H17NO3 |
|---|---|
| Molecular Weight | 223.12 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 59.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 223.12085 |
| Heavy Atoms | 16 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 78956-69-1 |
|---|---|
| SMILES | CCC(=O)C1=C(C(=C(N1)C)C(=O)OCC)C |
| InChIKey | NQOVWEMYSAIOBA-UHFFFAOYSA-N |
Product Overview
2,4-Dimethyl-5-(1-oxopropyl)1H-pyrrole-3-carboxylic acid ethyl ester (CAS 78956-69-1), with molecular formula C12H17NO3 and molecular weight 223.12 g/mol. IUPAC: ethyl 2,4-dimethyl-5-propanoyl-1H-pyrrole-3-carboxylate.
Chemical Property Profile of 2,4-Dimethyl-5-(1-oxopropyl)1H-pyrrole-3-carboxylic acid ethyl ester
Property Insights of 2,4-Dimethyl-5-(1-oxopropyl)1H-pyrrole-3-carboxylic acid ethyl ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dimethyl-5-(1-oxopropyl)1H-pyrrole-3-carboxylic acid ethyl ester. With a topological polar surface area (TPSA) of 59.2 Ų, 2,4-Dimethyl-5-(1-oxopropyl)1H-pyrrole-3-carboxylic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dimethyl-5-(1-oxopropyl)1H-pyrrole-3-carboxylic acid ethyl ester 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 2,4-Dimethyl-5-(1-oxopropyl)1H-pyrrole-3-carboxylic acid ethyl ester?
The CAS number of 2,4-Dimethyl-5-(1-oxopropyl)1H-pyrrole-3-carboxylic acid ethyl ester is 78956-69-1.
What is the molecular formula of 2,4-Dimethyl-5-(1-oxopropyl)1H-pyrrole-3-carboxylic acid ethyl ester?
The molecular formula of 2,4-Dimethyl-5-(1-oxopropyl)1H-pyrrole-3-carboxylic acid ethyl ester is C12H17NO3.
What is the molecular weight of 2,4-Dimethyl-5-(1-oxopropyl)1H-pyrrole-3-carboxylic acid ethyl ester?
The molecular weight of 2,4-Dimethyl-5-(1-oxopropyl)1H-pyrrole-3-carboxylic acid ethyl ester is 223.12 g/mol.
Where can I buy 2,4-Dimethyl-5-(1-oxopropyl)1H-pyrrole-3-carboxylic acid ethyl ester?
You can request a quote for 2,4-Dimethyl-5-(1-oxopropyl)1H-pyrrole-3-carboxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dimethyl-5-(1-oxopropyl)1H-pyrrole-3-carboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dimethyl-5-(1-oxopropyl)1H-pyrrole-3-carboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.