4-Acetyl-3,5-dimethyl-1H-pyrrole-2-carboxaldehyde
TL;DR: 4-Acetyl-3,5-dimethyl-1H-pyrrole-2-carboxaldehyde (CAS 2386-30-3) is a chemical compound with molecular formula C9H11NO2 and molecular weight 165.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbaldehyde
Also Known As: 4-Acetyl-3,5-dimethyl-1H-pyrrole-2-carbaldehyde, 2,4-Dimethyl-3-acetyl-5-formylpyrrole, 3,5-dimethyl-4-acetyl-2-formylpyrrole, 4-acetyl-3,5-dimethylpyrrole-2-carbaldehyde, J1.223.421J
| Molecular Formula | C9H11NO2 |
|---|---|
| Molecular Weight | 165.08 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 49.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 165.07898 |
| Heavy Atoms | 12 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 2386-30-3 |
|---|---|
| SMILES | CC1=C(NC(=C1C(=O)C)C)C=O |
| InChIKey | XGLYYTTZDQQNPF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Acetyl-3,5-dimethyl-1H-pyrrole-2-carboxaldehyde (CAS 2386-30-3), with molecular formula C9H11NO2 and molecular weight 165.08 g/mol. IUPAC: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbaldehyde.
Chemical Property Profile of 4-Acetyl-3,5-dimethyl-1H-pyrrole-2-carboxaldehyde
Property Insights of 4-Acetyl-3,5-dimethyl-1H-pyrrole-2-carboxaldehyde
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Acetyl-3,5-dimethyl-1H-pyrrole-2-carboxaldehyde. With a topological polar surface area (TPSA) of 49.9 Ų, 4-Acetyl-3,5-dimethyl-1H-pyrrole-2-carboxaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Acetyl-3,5-dimethyl-1H-pyrrole-2-carboxaldehyde 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 4-Acetyl-3,5-dimethyl-1H-pyrrole-2-carboxaldehyde?
The CAS number of 4-Acetyl-3,5-dimethyl-1H-pyrrole-2-carboxaldehyde is 2386-30-3.
What is the molecular formula of 4-Acetyl-3,5-dimethyl-1H-pyrrole-2-carboxaldehyde?
The molecular formula of 4-Acetyl-3,5-dimethyl-1H-pyrrole-2-carboxaldehyde is C9H11NO2.
What is the molecular weight of 4-Acetyl-3,5-dimethyl-1H-pyrrole-2-carboxaldehyde?
The molecular weight of 4-Acetyl-3,5-dimethyl-1H-pyrrole-2-carboxaldehyde is 165.08 g/mol.
Where can I buy 4-Acetyl-3,5-dimethyl-1H-pyrrole-2-carboxaldehyde?
You can request a quote for 4-Acetyl-3,5-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 4-Acetyl-3,5-dimethyl-1H-pyrrole-2-carboxaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetyl-3,5-dimethyl-1H-pyrrole-2-carboxaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.