1-(3,5-Dimethoxyphenyl)-1H-pyrrole
TL;DR: 1-(3,5-Dimethoxyphenyl)-1H-pyrrole (CAS 39779-23-2) is a chemical compound with molecular formula C12H13NO2 and molecular weight 203.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,5-dimethoxyphenyl)pyrrole
Also Known As: 1-(3,5-Dimethoxyphenyl)-1H-pyrrole, 1-(3,5-dimethoxyphenyl)pyrrole, Methyl-2-(4-methoxybenzoyloxy)benzoat
| Molecular Formula | C12H13NO2 |
|---|---|
| Molecular Weight | 203.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 23.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 203.09464 |
| Heavy Atoms | 15 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 39779-23-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1)N2C=CC=C2)OC |
| InChIKey | LDOKAWAMZKTGRP-UHFFFAOYSA-N |
Product Overview
1-(3,5-Dimethoxyphenyl)-1H-pyrrole (CAS 39779-23-2), with molecular formula C12H13NO2 and molecular weight 203.09 g/mol. IUPAC: 1-(3,5-dimethoxyphenyl)pyrrole.
Chemical Property Profile of 1-(3,5-Dimethoxyphenyl)-1H-pyrrole
Property Insights of 1-(3,5-Dimethoxyphenyl)-1H-pyrrole
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,5-Dimethoxyphenyl)-1H-pyrrole. With a topological polar surface area (TPSA) of 23.4 Ų, 1-(3,5-Dimethoxyphenyl)-1H-pyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,5-Dimethoxyphenyl)-1H-pyrrole has 0 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 1-(3,5-Dimethoxyphenyl)-1H-pyrrole?
The CAS number of 1-(3,5-Dimethoxyphenyl)-1H-pyrrole is 39779-23-2.
What is the molecular formula of 1-(3,5-Dimethoxyphenyl)-1H-pyrrole?
The molecular formula of 1-(3,5-Dimethoxyphenyl)-1H-pyrrole is C12H13NO2.
What is the molecular weight of 1-(3,5-Dimethoxyphenyl)-1H-pyrrole?
The molecular weight of 1-(3,5-Dimethoxyphenyl)-1H-pyrrole is 203.09 g/mol.
Where can I buy 1-(3,5-Dimethoxyphenyl)-1H-pyrrole?
You can request a quote for 1-(3,5-Dimethoxyphenyl)-1H-pyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,5-Dimethoxyphenyl)-1H-pyrrole?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,5-Dimethoxyphenyl)-1H-pyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.