2,5-dimethyl-1-phenyl-1H-pyrrole-3,4-dicarbaldehyde
TL;DR: 2,5-dimethyl-1-phenyl-1H-pyrrole-3,4-dicarbaldehyde (CAS 38824-62-3) is a chemical compound with molecular formula C14H13NO2 and molecular weight 227.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dimethyl-1-phenylpyrrole-3,4-dicarbaldehyde
Also Known As: 2,5-dimethyl-1-phenyl-1H-pyrrole-3,4-dicarbaldehyde, 2,5-dimethyl-1-phenylpyrrole-3,4-dicarbaldehyde, 1-phenyl-2,5-dimethylpyrrole-3,4-dicarbaldehyde, 2,5-dimethyl-1-phenyl-1H-pyrrole-3,4-dicarboxaldehyde, Cambridge id 6942673
| Molecular Formula | C14H13NO2 |
|---|---|
| Molecular Weight | 227.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 39.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.09464 |
| Heavy Atoms | 17 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 38824-62-3 |
|---|---|
| SMILES | CC1=C(C(=C(N1C2=CC=CC=C2)C)C=O)C=O |
| InChIKey | YAJAIRFZIPHSNA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-dimethyl-1-phenyl-1H-pyrrole-3,4-dicarbaldehyde (CAS 38824-62-3), with molecular formula C14H13NO2 and molecular weight 227.09 g/mol. IUPAC: 2,5-dimethyl-1-phenylpyrrole-3,4-dicarbaldehyde.
Chemical Property Profile of 2,5-dimethyl-1-phenyl-1H-pyrrole-3,4-dicarbaldehyde
Property Insights of 2,5-dimethyl-1-phenyl-1H-pyrrole-3,4-dicarbaldehyde
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-dimethyl-1-phenyl-1H-pyrrole-3,4-dicarbaldehyde. With a topological polar surface area (TPSA) of 39.1 Ų, 2,5-dimethyl-1-phenyl-1H-pyrrole-3,4-dicarbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-dimethyl-1-phenyl-1H-pyrrole-3,4-dicarbaldehyde has 0 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 2,5-dimethyl-1-phenyl-1H-pyrrole-3,4-dicarbaldehyde?
The CAS number of 2,5-dimethyl-1-phenyl-1H-pyrrole-3,4-dicarbaldehyde is 38824-62-3.
What is the molecular formula of 2,5-dimethyl-1-phenyl-1H-pyrrole-3,4-dicarbaldehyde?
The molecular formula of 2,5-dimethyl-1-phenyl-1H-pyrrole-3,4-dicarbaldehyde is C14H13NO2.
What is the molecular weight of 2,5-dimethyl-1-phenyl-1H-pyrrole-3,4-dicarbaldehyde?
The molecular weight of 2,5-dimethyl-1-phenyl-1H-pyrrole-3,4-dicarbaldehyde is 227.09 g/mol.
Where can I buy 2,5-dimethyl-1-phenyl-1H-pyrrole-3,4-dicarbaldehyde?
You can request a quote for 2,5-dimethyl-1-phenyl-1H-pyrrole-3,4-dicarbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-dimethyl-1-phenyl-1H-pyrrole-3,4-dicarbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 2,5-dimethyl-1-phenyl-1H-pyrrole-3,4-dicarbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.