3-(1H-Pyrrol-1-yl)benzaldehyde
TL;DR: 3-(1H-Pyrrol-1-yl)benzaldehyde (CAS 129747-77-9) 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.
3-pyrrol-1-ylbenzaldehyde
Also Known As: 3-(1H-Pyrrol-1-yl)benzaldehyde, 3-pyrrol-1-ylbenzaldehyde, 3-pyrrolylbenzaldehyde, INDENE, 3-Pyrrol-1-yl-benzaldehyde
| Molecular Formula | C11H9NO |
|---|---|
| Molecular Weight | 171.07 g/mol |
| LogP | 2.2898 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 171.06842 |
| Heavy Atoms | 13 |
| Complexity | 403.78845 |
Chemical Identifiers
| CAS Number | 129747-77-9 |
|---|---|
| SMILES | C1=CN(C=C1)C2=CC=CC(=C2)C=O |
Product Overview
3-(1H-Pyrrol-1-yl)benzaldehyde (CAS 129747-77-9), with molecular formula C11H9NO and molecular weight 171.07 g/mol. IUPAC: 3-pyrrol-1-ylbenzaldehyde.
Chemical Property Profile of 3-(1H-Pyrrol-1-yl)benzaldehyde
Property Insights of 3-(1H-Pyrrol-1-yl)benzaldehyde
The XLogP value of 2.2898 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1H-Pyrrol-1-yl)benzaldehyde. With a topological polar surface area (TPSA) of 22.0 Ų, 3-(1H-Pyrrol-1-yl)benzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1H-Pyrrol-1-yl)benzaldehyde has 0 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 3-(1H-Pyrrol-1-yl)benzaldehyde?
The CAS number of 3-(1H-Pyrrol-1-yl)benzaldehyde is 129747-77-9.
What is the molecular formula of 3-(1H-Pyrrol-1-yl)benzaldehyde?
The molecular formula of 3-(1H-Pyrrol-1-yl)benzaldehyde is C11H9NO.
What is the molecular weight of 3-(1H-Pyrrol-1-yl)benzaldehyde?
The molecular weight of 3-(1H-Pyrrol-1-yl)benzaldehyde is 171.07 g/mol.
Where can I buy 3-(1H-Pyrrol-1-yl)benzaldehyde?
You can request a quote for 3-(1H-Pyrrol-1-yl)benzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1H-Pyrrol-1-yl)benzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-(1H-Pyrrol-1-yl)benzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.