4-Ethyl-3,5-dimethyl-1H-pyrrole-2-carboxaldehyde
TL;DR: 4-Ethyl-3,5-dimethyl-1H-pyrrole-2-carboxaldehyde (CAS 6250-80-2) is a chemical compound with molecular formula C9H13NO and molecular weight 151.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-3,5-dimethyl-1H-pyrrole-2-carbaldehyde
Also Known As: 4-Ethyl-3,5-dimethyl-1H-pyrrole-2-carbaldehyde, CHEMBRDG-BB4302234, 4-Ethyl-3,5-dimethyl-1H-pyrrole-2-carboxaldehyde, 1H-Pyrrole-2-carboxaldehyde, 4-ethyl-3,5-dimethyl-, 4- Ethyl-2-formyl-3,5-dimethylpyrrol
| Molecular Formula | C9H13NO |
|---|---|
| Molecular Weight | 151.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 32.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 151.09972 |
| Heavy Atoms | 11 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 6250-80-2 |
|---|---|
| SMILES | CCC1=C(NC(=C1C)C=O)C |
| InChIKey | VHIKIUXLJPZNCA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Ethyl-3,5-dimethyl-1H-pyrrole-2-carboxaldehyde (CAS 6250-80-2), with molecular formula C9H13NO and molecular weight 151.10 g/mol. IUPAC: 4-ethyl-3,5-dimethyl-1H-pyrrole-2-carbaldehyde.
Chemical Property Profile of 4-Ethyl-3,5-dimethyl-1H-pyrrole-2-carboxaldehyde
Property Insights of 4-Ethyl-3,5-dimethyl-1H-pyrrole-2-carboxaldehyde
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethyl-3,5-dimethyl-1H-pyrrole-2-carboxaldehyde. With a topological polar surface area (TPSA) of 32.9 Ų, 4-Ethyl-3,5-dimethyl-1H-pyrrole-2-carboxaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethyl-3,5-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 4-Ethyl-3,5-dimethyl-1H-pyrrole-2-carboxaldehyde?
The CAS number of 4-Ethyl-3,5-dimethyl-1H-pyrrole-2-carboxaldehyde is 6250-80-2.
What is the molecular formula of 4-Ethyl-3,5-dimethyl-1H-pyrrole-2-carboxaldehyde?
The molecular formula of 4-Ethyl-3,5-dimethyl-1H-pyrrole-2-carboxaldehyde is C9H13NO.
What is the molecular weight of 4-Ethyl-3,5-dimethyl-1H-pyrrole-2-carboxaldehyde?
The molecular weight of 4-Ethyl-3,5-dimethyl-1H-pyrrole-2-carboxaldehyde is 151.10 g/mol.
Where can I buy 4-Ethyl-3,5-dimethyl-1H-pyrrole-2-carboxaldehyde?
You can request a quote for 4-Ethyl-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-Ethyl-3,5-dimethyl-1H-pyrrole-2-carboxaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethyl-3,5-dimethyl-1H-pyrrole-2-carboxaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.