4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbaldehyde
TL;DR: 4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbaldehyde (CAS 198705-07-6) is a chemical compound with molecular formula C10H13NO2 and molecular weight 179.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbaldehyde
Also Known As: 4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbaldehyde
| Molecular Formula | C10H13NO2 |
|---|---|
| Molecular Weight | 179.09 g/mol |
| LogP | 1.90062 |
| Topological Polar Surface Area | 49.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 179.09464 |
| Heavy Atoms | 13 |
| Complexity | 350.05188 |
Chemical Identifiers
| CAS Number | 198705-07-6 |
|---|---|
| SMILES | CCC1=C(NC(=C1C(=O)C)C)C=O |
Product Overview
4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbaldehyde (CAS 198705-07-6), with molecular formula C10H13NO2 and molecular weight 179.09 g/mol. IUPAC: 4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbaldehyde.
Chemical Property Profile of 4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbaldehyde
Property Insights of 4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbaldehyde
The XLogP value of 1.90062 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbaldehyde. With a topological polar surface area (TPSA) of 49.93 Ų, 4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbaldehyde 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-ethyl-5-methyl-1H-pyrrole-2-carbaldehyde?
The CAS number of 4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbaldehyde is 198705-07-6.
What is the molecular formula of 4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbaldehyde?
The molecular formula of 4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbaldehyde is C10H13NO2.
What is the molecular weight of 4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbaldehyde?
The molecular weight of 4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbaldehyde is 179.09 g/mol.
Where can I buy 4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbaldehyde?
You can request a quote for 4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbaldehyde 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-ethyl-5-methyl-1H-pyrrole-2-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.