1H-pyrrole-2,5-dicarbaldehyde
TL;DR: 1H-pyrrole-2,5-dicarbaldehyde (CAS 39604-60-9) is a chemical compound with molecular formula C6H5NO2 and molecular weight 123.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-pyrrole-2,5-dicarbaldehyde
Also Known As: 1H-pyrrole-2,5-dicarbaldehyde, pyrrole-2,5-dicarboxaldehyde, Pyrrole-2,5-dicarbaldehyde, 1H-Pyrrole-2,5-dicarboxaldehyde, 1-H-pyrrole-2,5-dicarbaldehyde
| Molecular Formula | C6H5NO2 |
|---|---|
| Molecular Weight | 123.03 g/mol |
| LogP | 0.6397 |
| Topological Polar Surface Area | 49.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 123.03203 |
| Heavy Atoms | 9 |
| Complexity | 204.21666 |
Chemical Identifiers
| CAS Number | 39604-60-9 |
|---|---|
| SMILES | C1=C(NC(=C1)C=O)C=O |
Product Overview
1H-pyrrole-2,5-dicarbaldehyde (CAS 39604-60-9), with molecular formula C6H5NO2 and molecular weight 123.03 g/mol. IUPAC: 1H-pyrrole-2,5-dicarbaldehyde.
Chemical Property Profile of 1H-pyrrole-2,5-dicarbaldehyde
Property Insights of 1H-pyrrole-2,5-dicarbaldehyde
The XLogP value of 0.6397 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-pyrrole-2,5-dicarbaldehyde. With a topological polar surface area (TPSA) of 49.93 Ų, 1H-pyrrole-2,5-dicarbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-pyrrole-2,5-dicarbaldehyde has 1 hydrogen bond donor(s) and 2 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 1H-pyrrole-2,5-dicarbaldehyde?
The CAS number of 1H-pyrrole-2,5-dicarbaldehyde is 39604-60-9.
What is the molecular formula of 1H-pyrrole-2,5-dicarbaldehyde?
The molecular formula of 1H-pyrrole-2,5-dicarbaldehyde is C6H5NO2.
What is the molecular weight of 1H-pyrrole-2,5-dicarbaldehyde?
The molecular weight of 1H-pyrrole-2,5-dicarbaldehyde is 123.03 g/mol.
Where can I buy 1H-pyrrole-2,5-dicarbaldehyde?
You can request a quote for 1H-pyrrole-2,5-dicarbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-pyrrole-2,5-dicarbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 1H-pyrrole-2,5-dicarbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.