ethyl 1-benzyl-5-formyl-1H-pyrrole-2-carboxylate
TL;DR: ethyl 1-benzyl-5-formyl-1H-pyrrole-2-carboxylate (CAS 95334-63-7) is a chemical compound with molecular formula C15H15NO3 and molecular weight 257.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-benzyl-5-formylpyrrole-2-carboxylate
Also Known As: ethyl 1-benzyl-5-formylpyrrole-2-carboxylate, ethyl 1-benzyl-5-formyl-1H-pyrrole-2-carboxylate, ethyl 5-formyl-1-benzylpyrrole-2-carboxylate, AE-508/36397033
| Molecular Formula | C15H15NO3 |
|---|---|
| Molecular Weight | 257.11 g/mol |
| LogP | 2.5256 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 257.1052 |
| Heavy Atoms | 19 |
| Complexity | 572.33154 |
Chemical Identifiers
| CAS Number | 95334-63-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(N1CC2=CC=CC=C2)C=O |
Product Overview
ethyl 1-benzyl-5-formyl-1H-pyrrole-2-carboxylate (CAS 95334-63-7), with molecular formula C15H15NO3 and molecular weight 257.11 g/mol. IUPAC: ethyl 1-benzyl-5-formylpyrrole-2-carboxylate.
Chemical Property Profile of ethyl 1-benzyl-5-formyl-1H-pyrrole-2-carboxylate
Property Insights of ethyl 1-benzyl-5-formyl-1H-pyrrole-2-carboxylate
The XLogP value of 2.5256 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 1-benzyl-5-formyl-1H-pyrrole-2-carboxylate. With a topological polar surface area (TPSA) of 48.3 Ų, ethyl 1-benzyl-5-formyl-1H-pyrrole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 1-benzyl-5-formyl-1H-pyrrole-2-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 1-benzyl-5-formyl-1H-pyrrole-2-carboxylate?
The CAS number of ethyl 1-benzyl-5-formyl-1H-pyrrole-2-carboxylate is 95334-63-7.
What is the molecular formula of ethyl 1-benzyl-5-formyl-1H-pyrrole-2-carboxylate?
The molecular formula of ethyl 1-benzyl-5-formyl-1H-pyrrole-2-carboxylate is C15H15NO3.
What is the molecular weight of ethyl 1-benzyl-5-formyl-1H-pyrrole-2-carboxylate?
The molecular weight of ethyl 1-benzyl-5-formyl-1H-pyrrole-2-carboxylate is 257.11 g/mol.
Where can I buy ethyl 1-benzyl-5-formyl-1H-pyrrole-2-carboxylate?
You can request a quote for ethyl 1-benzyl-5-formyl-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 1-benzyl-5-formyl-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 1-benzyl-5-formyl-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.