![2-[(4-methylphenyl)methyl]-1H-pyrrole structure](/static/products/794/79499-34-6.png)
2-[(4-methylphenyl)methyl]-1H-pyrrole
TL;DR: 2-[(4-methylphenyl)methyl]-1H-pyrrole (CAS 79499-34-6) is a chemical compound with molecular formula C12H13N and molecular weight 171.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methylphenyl)methyl]-1H-pyrrole
Also Known As: 2-(p-methylbenzyl)pyrrole, 2-[(4-methylphenyl)methyl]-1H-pyrrole, 2-(4-Methylbenzyl)-1H-pyrrole, J2.936.134G
| Molecular Formula | C12H13N |
|---|---|
| Molecular Weight | 171.10 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 15.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 171.1048 |
| Heavy Atoms | 13 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 79499-34-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CC2=CC=CN2 |
| InChIKey | MTXAAIJIVRAVMF-UHFFFAOYSA-N |
Product Overview
2-[(4-methylphenyl)methyl]-1H-pyrrole (CAS 79499-34-6), with molecular formula C12H13N and molecular weight 171.10 g/mol. IUPAC: 2-[(4-methylphenyl)methyl]-1H-pyrrole.
Chemical Property Profile of 2-[(4-methylphenyl)methyl]-1H-pyrrole
Property Insights of 2-[(4-methylphenyl)methyl]-1H-pyrrole
The XLogP value of 3.0 indicates that 2-[(4-methylphenyl)methyl]-1H-pyrrole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.8 Ų, 2-[(4-methylphenyl)methyl]-1H-pyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-methylphenyl)methyl]-1H-pyrrole has 1 hydrogen bond donor(s) and 0 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-methylphenyl)methyl]-1H-pyrrole?
The CAS number of 2-[(4-methylphenyl)methyl]-1H-pyrrole is 79499-34-6.
What is the molecular formula of 2-[(4-methylphenyl)methyl]-1H-pyrrole?
The molecular formula of 2-[(4-methylphenyl)methyl]-1H-pyrrole is C12H13N.
What is the molecular weight of 2-[(4-methylphenyl)methyl]-1H-pyrrole?
The molecular weight of 2-[(4-methylphenyl)methyl]-1H-pyrrole is 171.10 g/mol.
Where can I buy 2-[(4-methylphenyl)methyl]-1H-pyrrole?
You can request a quote for 2-[(4-methylphenyl)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-methylphenyl)methyl]-1H-pyrrole?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-methylphenyl)methyl]-1H-pyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.