5-Phenyl-1H-pyrrole-2-carbaldehyde
TL;DR: 5-Phenyl-1H-pyrrole-2-carbaldehyde (CAS 52179-74-5) is a chemical compound with molecular formula C11H9NO and molecular weight 171.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-phenyl-1H-pyrrole-2-carbaldehyde
Also Known As: 5-Phenyl-1H-pyrrole-2-carbaldehyde, Methyl isonicotinate, 5-Phenylpyrrole-2-carboxaldehyde, 5-phenyl-2-formylpyrrole, 2-Formyl-5-phenyl-pyrrole
| Molecular Formula | C11H9NO |
|---|---|
| Molecular Weight | 171.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 32.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 171.06842 |
| Heavy Atoms | 13 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 52179-74-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC=C(N2)C=O |
| InChIKey | AWLDDDPIAFHCFV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Phenyl-1H-pyrrole-2-carbaldehyde (CAS 52179-74-5), with molecular formula C11H9NO and molecular weight 171.07 g/mol. IUPAC: 5-phenyl-1H-pyrrole-2-carbaldehyde.
Chemical Property Profile of 5-Phenyl-1H-pyrrole-2-carbaldehyde
Property Insights of 5-Phenyl-1H-pyrrole-2-carbaldehyde
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Phenyl-1H-pyrrole-2-carbaldehyde. With a topological polar surface area (TPSA) of 32.9 Ų, 5-Phenyl-1H-pyrrole-2-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Phenyl-1H-pyrrole-2-carbaldehyde has 1 hydrogen bond donor(s) and 1 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 5-Phenyl-1H-pyrrole-2-carbaldehyde?
The CAS number of 5-Phenyl-1H-pyrrole-2-carbaldehyde is 52179-74-5.
What is the molecular formula of 5-Phenyl-1H-pyrrole-2-carbaldehyde?
The molecular formula of 5-Phenyl-1H-pyrrole-2-carbaldehyde is C11H9NO.
What is the molecular weight of 5-Phenyl-1H-pyrrole-2-carbaldehyde?
The molecular weight of 5-Phenyl-1H-pyrrole-2-carbaldehyde is 171.07 g/mol.
Where can I buy 5-Phenyl-1H-pyrrole-2-carbaldehyde?
You can request a quote for 5-Phenyl-1H-pyrrole-2-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Phenyl-1H-pyrrole-2-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 5-Phenyl-1H-pyrrole-2-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.