3,4-dimethyl-1H-pyrrole-2-carboxaldehyde
TL;DR: 3,4-dimethyl-1H-pyrrole-2-carboxaldehyde (CAS 197915-38-1) is a chemical compound with molecular formula C7H9NO and molecular weight 123.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethyl-1H-pyrrole-2-carbaldehyde
Also Known As: 3,4-Dimethyl-1H-pyrrole-2-carbaldehyde, 3,4-dimethylpyrrole-2-carbaldehyde, 3,4-dimethyl-1H-pyrrole-2-carboxaldehyde, 1H-Pyrrole-2-carboxaldehyde, 3,4-dimethyl-, 2-formyl-3,4-dimethylpyrrole
| Molecular Formula | C7H9NO |
|---|---|
| Molecular Weight | 123.07 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 32.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 123.06841 |
| Heavy Atoms | 9 |
| Complexity | 113.0 |
Chemical Identifiers
| CAS Number | 197915-38-1 |
|---|---|
| SMILES | CC1=CNC(=C1C)C=O |
| InChIKey | LRJDGBKOYYAJJF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-dimethyl-1H-pyrrole-2-carboxaldehyde (CAS 197915-38-1), with molecular formula C7H9NO and molecular weight 123.07 g/mol. IUPAC: 3,4-dimethyl-1H-pyrrole-2-carbaldehyde.
Chemical Property Profile of 3,4-dimethyl-1H-pyrrole-2-carboxaldehyde
Property Insights of 3,4-dimethyl-1H-pyrrole-2-carboxaldehyde
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-dimethyl-1H-pyrrole-2-carboxaldehyde. With a topological polar surface area (TPSA) of 32.9 Ų, 3,4-dimethyl-1H-pyrrole-2-carboxaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-dimethyl-1H-pyrrole-2-carboxaldehyde 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 3,4-dimethyl-1H-pyrrole-2-carboxaldehyde?
The CAS number of 3,4-dimethyl-1H-pyrrole-2-carboxaldehyde is 197915-38-1.
What is the molecular formula of 3,4-dimethyl-1H-pyrrole-2-carboxaldehyde?
The molecular formula of 3,4-dimethyl-1H-pyrrole-2-carboxaldehyde is C7H9NO.
What is the molecular weight of 3,4-dimethyl-1H-pyrrole-2-carboxaldehyde?
The molecular weight of 3,4-dimethyl-1H-pyrrole-2-carboxaldehyde is 123.07 g/mol.
Where can I buy 3,4-dimethyl-1H-pyrrole-2-carboxaldehyde?
You can request a quote for 3,4-dimethyl-1H-pyrrole-2-carboxaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-dimethyl-1H-pyrrole-2-carboxaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dimethyl-1H-pyrrole-2-carboxaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.