methyl 2-(2-formyl-1H-pyrrol-1-yl)benzoate
TL;DR: methyl 2-(2-formyl-1H-pyrrol-1-yl)benzoate (CAS 79100-16-6) is a chemical compound with molecular formula C13H11NO3 and molecular weight 229.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2-formylpyrrol-1-yl)benzoate
Also Known As: methyl 2-(2-formyl-1H-pyrrol-1-yl)benzoate, methyl 2-(2-formylpyrrol-1-yl)benzoate, BB 0249275, methyl2-(2-formyl-1H-pyrrol-1-yl)benzoate, J2.645.716E
| Molecular Formula | C13H11NO3 |
|---|---|
| Molecular Weight | 229.07 g/mol |
| LogP | 2.0764 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.0739 |
| Heavy Atoms | 17 |
| Complexity | 557.2971 |
Chemical Identifiers
| CAS Number | 79100-16-6 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1N2C=CC=C2C=O |
Product Overview
methyl 2-(2-formyl-1H-pyrrol-1-yl)benzoate (CAS 79100-16-6), with molecular formula C13H11NO3 and molecular weight 229.07 g/mol. IUPAC: methyl 2-(2-formylpyrrol-1-yl)benzoate.
Chemical Property Profile of methyl 2-(2-formyl-1H-pyrrol-1-yl)benzoate
Property Insights of methyl 2-(2-formyl-1H-pyrrol-1-yl)benzoate
The XLogP value of 2.0764 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(2-formyl-1H-pyrrol-1-yl)benzoate. With a topological polar surface area (TPSA) of 48.3 Ų, methyl 2-(2-formyl-1H-pyrrol-1-yl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2-(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 methyl 2-(2-formyl-1H-pyrrol-1-yl)benzoate?
The CAS number of methyl 2-(2-formyl-1H-pyrrol-1-yl)benzoate is 79100-16-6.
What is the molecular formula of methyl 2-(2-formyl-1H-pyrrol-1-yl)benzoate?
The molecular formula of methyl 2-(2-formyl-1H-pyrrol-1-yl)benzoate is C13H11NO3.
What is the molecular weight of methyl 2-(2-formyl-1H-pyrrol-1-yl)benzoate?
The molecular weight of methyl 2-(2-formyl-1H-pyrrol-1-yl)benzoate is 229.07 g/mol.
Where can I buy methyl 2-(2-formyl-1H-pyrrol-1-yl)benzoate?
You can request a quote for methyl 2-(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 methyl 2-(2-formyl-1H-pyrrol-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(2-formyl-1H-pyrrol-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.