![2-[(4-methoxyphenyl)methyl]-1H-pyrrole structure](/static/products/1963/1963-42-4.webp)
2-[(4-methoxyphenyl)methyl]-1H-pyrrole
TL;DR: 2-[(4-methoxyphenyl)methyl]-1H-pyrrole (CAS 1963-42-4) is a chemical compound with molecular formula C12H13NO and molecular weight 187.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methoxyphenyl)methyl]-1H-pyrrole
Also Known As: 2-p-anisyl-1H-pyrrole, 2-(p-methoxybenzyl)pyrrole, 2-[(4-methoxyphenyl)methyl]-1H-pyrrole, 2-(4-Methoxybenzyl)-1H-pyrrole, 2-[(4-methoxyphenyl)-methyl]-1H-pyrrole
| Molecular Formula | C12H13NO |
|---|---|
| Molecular Weight | 187.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 25.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 187.09972 |
| Heavy Atoms | 14 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 1963-42-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CC2=CC=CN2 |
| InChIKey | OYFWGFPDIJNNOD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[(4-methoxyphenyl)methyl]-1H-pyrrole (CAS 1963-42-4), with molecular formula C12H13NO and molecular weight 187.10 g/mol. IUPAC: 2-[(4-methoxyphenyl)methyl]-1H-pyrrole.
Chemical Property Profile of 2-[(4-methoxyphenyl)methyl]-1H-pyrrole
Property Insights of 2-[(4-methoxyphenyl)methyl]-1H-pyrrole
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-methoxyphenyl)methyl]-1H-pyrrole. With a topological polar surface area (TPSA) of 25.0 Ų, 2-[(4-methoxyphenyl)methyl]-1H-pyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-methoxyphenyl)methyl]-1H-pyrrole 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 2-[(4-methoxyphenyl)methyl]-1H-pyrrole?
The CAS number of 2-[(4-methoxyphenyl)methyl]-1H-pyrrole is 1963-42-4.
What is the molecular formula of 2-[(4-methoxyphenyl)methyl]-1H-pyrrole?
The molecular formula of 2-[(4-methoxyphenyl)methyl]-1H-pyrrole is C12H13NO.
What is the molecular weight of 2-[(4-methoxyphenyl)methyl]-1H-pyrrole?
The molecular weight of 2-[(4-methoxyphenyl)methyl]-1H-pyrrole is 187.10 g/mol.
Where can I buy 2-[(4-methoxyphenyl)methyl]-1H-pyrrole?
You can request a quote for 2-[(4-methoxyphenyl)methyl]-1H-pyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-methoxyphenyl)methyl]-1H-pyrrole?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-methoxyphenyl)methyl]-1H-pyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.