2-Phenyl-1H-pyrrole-3-carbaldehyde
TL;DR: 2-Phenyl-1H-pyrrole-3-carbaldehyde (CAS 52179-71-2) 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.
2-phenyl-1H-pyrrole-3-carbaldehyde
Also Known As: 2-Phenyl-1H-pyrrole-3-carbaldehyde, 2-Phenyl-3-formyl-pyrrole, 2-Phenyl-pyrrol-3-carbaldehyd, AXOISOXQFSFKBI-UHFFFAOYSA-, 1H-Pyrrole-3-carboxaldehyde, 2-phenyl-
| Molecular Formula | C11H9NO |
|---|---|
| Molecular Weight | 171.07 g/mol |
| LogP | 1.8 |
| 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 | 52179-71-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(C=CN2)C=O |
| InChIKey | AXOISOXQFSFKBI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Phenyl-1H-pyrrole-3-carbaldehyde (CAS 52179-71-2), with molecular formula C11H9NO and molecular weight 171.07 g/mol. IUPAC: 2-phenyl-1H-pyrrole-3-carbaldehyde.
Chemical Property Profile of 2-Phenyl-1H-pyrrole-3-carbaldehyde
Property Insights of 2-Phenyl-1H-pyrrole-3-carbaldehyde
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenyl-1H-pyrrole-3-carbaldehyde. With a topological polar surface area (TPSA) of 32.9 Ų, 2-Phenyl-1H-pyrrole-3-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenyl-1H-pyrrole-3-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 2-Phenyl-1H-pyrrole-3-carbaldehyde?
The CAS number of 2-Phenyl-1H-pyrrole-3-carbaldehyde is 52179-71-2.
What is the molecular formula of 2-Phenyl-1H-pyrrole-3-carbaldehyde?
The molecular formula of 2-Phenyl-1H-pyrrole-3-carbaldehyde is C11H9NO.
What is the molecular weight of 2-Phenyl-1H-pyrrole-3-carbaldehyde?
The molecular weight of 2-Phenyl-1H-pyrrole-3-carbaldehyde is 171.07 g/mol.
Where can I buy 2-Phenyl-1H-pyrrole-3-carbaldehyde?
You can request a quote for 2-Phenyl-1H-pyrrole-3-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenyl-1H-pyrrole-3-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenyl-1H-pyrrole-3-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.