ethyl 2,5-dimethyl-1-(4-pyridylmethyl)-1H-pyrrole-3-carboxylate
TL;DR: ethyl 2,5-dimethyl-1-(4-pyridylmethyl)-1H-pyrrole-3-carboxylate (CAS 175276-53-6) is a chemical compound with molecular formula C15H18N2O2 and molecular weight 258.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,5-dimethyl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxylate
Also Known As: Maybridge1_008365, ethyl 2,5-dimethyl-1-(4-pyridylmethyl)-1H-pyrrole-3-carboxylate, ethyl 2,5-dimethyl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxylate, Ethyl 2,5-dimethyl-1-(pyridin-4-ylmethyl)-1H-pyrrole-3-carboxylate, BRD-K50594198-001-01-6
| Molecular Formula | C15H18N2O2 |
|---|---|
| Molecular Weight | 258.14 g/mol |
| LogP | 2.72494 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.13684 |
| Heavy Atoms | 19 |
| Complexity | 573.33154 |
Chemical Identifiers
| CAS Number | 175276-53-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C(=C1)C)CC2=CC=NC=C2)C |
Product Overview
ethyl 2,5-dimethyl-1-(4-pyridylmethyl)-1H-pyrrole-3-carboxylate (CAS 175276-53-6), with molecular formula C15H18N2O2 and molecular weight 258.14 g/mol. IUPAC: ethyl 2,5-dimethyl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxylate.
Chemical Property Profile of ethyl 2,5-dimethyl-1-(4-pyridylmethyl)-1H-pyrrole-3-carboxylate
Property Insights of ethyl 2,5-dimethyl-1-(4-pyridylmethyl)-1H-pyrrole-3-carboxylate
The XLogP value of 2.72494 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2,5-dimethyl-1-(4-pyridylmethyl)-1H-pyrrole-3-carboxylate. With a topological polar surface area (TPSA) of 44.12 Ų, ethyl 2,5-dimethyl-1-(4-pyridylmethyl)-1H-pyrrole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2,5-dimethyl-1-(4-pyridylmethyl)-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 2,5-dimethyl-1-(4-pyridylmethyl)-1H-pyrrole-3-carboxylate?
The CAS number of ethyl 2,5-dimethyl-1-(4-pyridylmethyl)-1H-pyrrole-3-carboxylate is 175276-53-6.
What is the molecular formula of ethyl 2,5-dimethyl-1-(4-pyridylmethyl)-1H-pyrrole-3-carboxylate?
The molecular formula of ethyl 2,5-dimethyl-1-(4-pyridylmethyl)-1H-pyrrole-3-carboxylate is C15H18N2O2.
What is the molecular weight of ethyl 2,5-dimethyl-1-(4-pyridylmethyl)-1H-pyrrole-3-carboxylate?
The molecular weight of ethyl 2,5-dimethyl-1-(4-pyridylmethyl)-1H-pyrrole-3-carboxylate is 258.14 g/mol.
Where can I buy ethyl 2,5-dimethyl-1-(4-pyridylmethyl)-1H-pyrrole-3-carboxylate?
You can request a quote for ethyl 2,5-dimethyl-1-(4-pyridylmethyl)-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 2,5-dimethyl-1-(4-pyridylmethyl)-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2,5-dimethyl-1-(4-pyridylmethyl)-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.