ethyl 4-(2-formyl-1H-pyrrol-1-yl)benzoate
TL;DR: ethyl 4-(2-formyl-1H-pyrrol-1-yl)benzoate (CAS 86454-37-7) is a chemical compound with molecular formula C14H13NO3 and molecular weight 243.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(2-formylpyrrol-1-yl)benzoate
Also Known As: ethyl 4-(2-formyl-1H-pyrrol-1-yl)benzoate, ethyl 4-(2-formylpyrrol-1-yl)benzoate, AURORA KA-130, 4-(2-Formyl-pyrrol-1-yl)-benzoic acid ethyl ester, Ethyl 4-(2-Formyl-pyrrol-1-yl)-benzoate
| Molecular Formula | C14H13NO3 |
|---|---|
| Molecular Weight | 243.09 g/mol |
| LogP | 2.4665 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 243.08954 |
| Heavy Atoms | 18 |
| Complexity | 554.67303 |
Chemical Identifiers
| CAS Number | 86454-37-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C=CC=C2C=O |
Product Overview
ethyl 4-(2-formyl-1H-pyrrol-1-yl)benzoate (CAS 86454-37-7), with molecular formula C14H13NO3 and molecular weight 243.09 g/mol. IUPAC: ethyl 4-(2-formylpyrrol-1-yl)benzoate.
Chemical Property Profile of ethyl 4-(2-formyl-1H-pyrrol-1-yl)benzoate
Property Insights of ethyl 4-(2-formyl-1H-pyrrol-1-yl)benzoate
The XLogP value of 2.4665 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-(2-formyl-1H-pyrrol-1-yl)benzoate. With a topological polar surface area (TPSA) of 48.3 Ų, ethyl 4-(2-formyl-1H-pyrrol-1-yl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 4-(2-formyl-1H-pyrrol-1-yl)benzoate 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 4-(2-formyl-1H-pyrrol-1-yl)benzoate?
The CAS number of ethyl 4-(2-formyl-1H-pyrrol-1-yl)benzoate is 86454-37-7.
What is the molecular formula of ethyl 4-(2-formyl-1H-pyrrol-1-yl)benzoate?
The molecular formula of ethyl 4-(2-formyl-1H-pyrrol-1-yl)benzoate is C14H13NO3.
What is the molecular weight of ethyl 4-(2-formyl-1H-pyrrol-1-yl)benzoate?
The molecular weight of ethyl 4-(2-formyl-1H-pyrrol-1-yl)benzoate is 243.09 g/mol.
Where can I buy ethyl 4-(2-formyl-1H-pyrrol-1-yl)benzoate?
You can request a quote for ethyl 4-(2-formyl-1H-pyrrol-1-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(2-formyl-1H-pyrrol-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(2-formyl-1H-pyrrol-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.