1-Benzyl-2,5-dimethyl-1H-pyrrole-3-carbaldehyde
TL;DR: 1-Benzyl-2,5-dimethyl-1H-pyrrole-3-carbaldehyde (CAS 56018-32-7) is a chemical compound with molecular formula C14H15NO and molecular weight 213.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-2,5-dimethylpyrrole-3-carbaldehyde
Also Known As: 1-Benzyl-2,5-dimethyl-1H-pyrrole-3-carbaldehyde, 1-benzyl-2,5-dimethylpyrrole-3-carbaldehyde, ASISCHEM C61050, SP510, 5646AE
| Molecular Formula | C14H15NO |
|---|---|
| Molecular Weight | 213.12 g/mol |
| LogP | 2.96574 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 213.11537 |
| Heavy Atoms | 16 |
| Complexity | 496.95395 |
Chemical Identifiers
| CAS Number | 56018-32-7 |
|---|---|
| SMILES | CC1=CC(=C(N1CC2=CC=CC=C2)C)C=O |
Product Overview
1-Benzyl-2,5-dimethyl-1H-pyrrole-3-carbaldehyde (CAS 56018-32-7), with molecular formula C14H15NO and molecular weight 213.12 g/mol. IUPAC: 1-benzyl-2,5-dimethylpyrrole-3-carbaldehyde.
Chemical Property Profile of 1-Benzyl-2,5-dimethyl-1H-pyrrole-3-carbaldehyde
Property Insights of 1-Benzyl-2,5-dimethyl-1H-pyrrole-3-carbaldehyde
The XLogP value of 2.96574 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-2,5-dimethyl-1H-pyrrole-3-carbaldehyde. With a topological polar surface area (TPSA) of 22.0 Ų, 1-Benzyl-2,5-dimethyl-1H-pyrrole-3-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-2,5-dimethyl-1H-pyrrole-3-carbaldehyde has 0 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 1-Benzyl-2,5-dimethyl-1H-pyrrole-3-carbaldehyde?
The CAS number of 1-Benzyl-2,5-dimethyl-1H-pyrrole-3-carbaldehyde is 56018-32-7.
What is the molecular formula of 1-Benzyl-2,5-dimethyl-1H-pyrrole-3-carbaldehyde?
The molecular formula of 1-Benzyl-2,5-dimethyl-1H-pyrrole-3-carbaldehyde is C14H15NO.
What is the molecular weight of 1-Benzyl-2,5-dimethyl-1H-pyrrole-3-carbaldehyde?
The molecular weight of 1-Benzyl-2,5-dimethyl-1H-pyrrole-3-carbaldehyde is 213.12 g/mol.
Where can I buy 1-Benzyl-2,5-dimethyl-1H-pyrrole-3-carbaldehyde?
You can request a quote for 1-Benzyl-2,5-dimethyl-1H-pyrrole-3-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-2,5-dimethyl-1H-pyrrole-3-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-2,5-dimethyl-1H-pyrrole-3-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.