2,4-Dimethyl-5-ethyl-3-car-bethoxypyrrole
TL;DR: 2,4-Dimethyl-5-ethyl-3-car-bethoxypyrrole (CAS 22186-92-1) is a chemical compound with molecular formula C11H17NO2 and molecular weight 195.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-ethyl-2,4-dimethyl-1H-pyrrole-3-carboxylate
Also Known As: 2,4-dimethyl-5-ethyl-3-car-bethoxypyrrole, 2,4-Dimethyl-5-ethyl-3-carbethoxy-pyrrole, Ethyl 5-ethyl-2,4-dimethyl-1H-pyrrole-3-carboxylate, J2.002.322H, 2,4-Dimethyl-5-ethyl-1H-pyrrole-3-carboxylic acid ethyl ester
| Molecular Formula | C11H17NO2 |
|---|---|
| Molecular Weight | 195.13 g/mol |
| LogP | 2.37064 |
| Topological Polar Surface Area | 42.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 195.12593 |
| Heavy Atoms | 14 |
| Complexity | 339.30188 |
Chemical Identifiers
| CAS Number | 22186-92-1 |
|---|---|
| SMILES | CCC1=C(C(=C(N1)C)C(=O)OCC)C |
Product Overview
2,4-Dimethyl-5-ethyl-3-car-bethoxypyrrole (CAS 22186-92-1), with molecular formula C11H17NO2 and molecular weight 195.13 g/mol. IUPAC: ethyl 5-ethyl-2,4-dimethyl-1H-pyrrole-3-carboxylate.
Chemical Property Profile of 2,4-Dimethyl-5-ethyl-3-car-bethoxypyrrole
Property Insights of 2,4-Dimethyl-5-ethyl-3-car-bethoxypyrrole
The XLogP value of 2.37064 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dimethyl-5-ethyl-3-car-bethoxypyrrole. With a topological polar surface area (TPSA) of 42.09 Ų, 2,4-Dimethyl-5-ethyl-3-car-bethoxypyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dimethyl-5-ethyl-3-car-bethoxypyrrole has 1 hydrogen bond donor(s) and 2 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-ethyl-3-car-bethoxypyrrole?
The CAS number of 2,4-Dimethyl-5-ethyl-3-car-bethoxypyrrole is 22186-92-1.
What is the molecular formula of 2,4-Dimethyl-5-ethyl-3-car-bethoxypyrrole?
The molecular formula of 2,4-Dimethyl-5-ethyl-3-car-bethoxypyrrole is C11H17NO2.
What is the molecular weight of 2,4-Dimethyl-5-ethyl-3-car-bethoxypyrrole?
The molecular weight of 2,4-Dimethyl-5-ethyl-3-car-bethoxypyrrole is 195.13 g/mol.
Where can I buy 2,4-Dimethyl-5-ethyl-3-car-bethoxypyrrole?
You can request a quote for 2,4-Dimethyl-5-ethyl-3-car-bethoxypyrrole 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-ethyl-3-car-bethoxypyrrole?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dimethyl-5-ethyl-3-car-bethoxypyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.