1-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carbaldehyde
TL;DR: 1-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carbaldehyde (CAS 43053-78-7) is a chemical compound with molecular formula C13H13NO3 and molecular weight 231.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dimethoxyphenyl)pyrrole-2-carbaldehyde
Also Known As: 1-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carbaldehyde, 1-(3,4-dimethoxyphenyl)pyrrole-2-carbaldehyde
| Molecular Formula | C13H13NO3 |
|---|---|
| Molecular Weight | 231.09 g/mol |
| LogP | 2.307 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 231.08954 |
| Heavy Atoms | 17 |
| Complexity | 531.2109 |
Chemical Identifiers
| CAS Number | 43053-78-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)N2C=CC=C2C=O)OC |
Product Overview
1-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carbaldehyde (CAS 43053-78-7), with molecular formula C13H13NO3 and molecular weight 231.09 g/mol. IUPAC: 1-(3,4-dimethoxyphenyl)pyrrole-2-carbaldehyde.
Chemical Property Profile of 1-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carbaldehyde
Property Insights of 1-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carbaldehyde
The XLogP value of 2.307 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carbaldehyde. With a topological polar surface area (TPSA) of 40.46 Ų, 1-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carbaldehyde has 0 hydrogen bond donor(s) and 3 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-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carbaldehyde?
The CAS number of 1-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carbaldehyde is 43053-78-7.
What is the molecular formula of 1-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carbaldehyde?
The molecular formula of 1-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carbaldehyde is C13H13NO3.
What is the molecular weight of 1-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carbaldehyde?
The molecular weight of 1-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carbaldehyde is 231.09 g/mol.
Where can I buy 1-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carbaldehyde?
You can request a quote for 1-(3,4-dimethoxyphenyl)-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 1-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.