1-(4-Methylbenzyl)-1h-pyrrole
TL;DR: 1-(4-Methylbenzyl)-1h-pyrrole (CAS 94054-40-7) 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.
1-[(4-methylphenyl)methyl]pyrrole
Also Known As: 1-(4-methylbenzyl)-1h-pyrrole, 1-[(4-methylphenyl)methyl]pyrrole, KST-1B9441, 1-[(4-methylphenyl)methyl]-1H-pyrrole, J1.286.275J
| Molecular Formula | C12H13N |
|---|---|
| Molecular Weight | 171.10 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 4.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 171.1048 |
| Heavy Atoms | 13 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 94054-40-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C=CC=C2 |
| InChIKey | BKMDGFGFVPFAEA-UHFFFAOYSA-N |
Product Overview
1-(4-Methylbenzyl)-1h-pyrrole (CAS 94054-40-7), with molecular formula C12H13N and molecular weight 171.10 g/mol. IUPAC: 1-[(4-methylphenyl)methyl]pyrrole.
Chemical Property Profile of 1-(4-Methylbenzyl)-1h-pyrrole
Property Insights of 1-(4-Methylbenzyl)-1h-pyrrole
The XLogP value of 3.1 indicates that 1-(4-Methylbenzyl)-1h-pyrrole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 4.9 Ų, 1-(4-Methylbenzyl)-1h-pyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Methylbenzyl)-1h-pyrrole has 0 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 1-(4-Methylbenzyl)-1h-pyrrole?
The CAS number of 1-(4-Methylbenzyl)-1h-pyrrole is 94054-40-7.
What is the molecular formula of 1-(4-Methylbenzyl)-1h-pyrrole?
The molecular formula of 1-(4-Methylbenzyl)-1h-pyrrole is C12H13N.
What is the molecular weight of 1-(4-Methylbenzyl)-1h-pyrrole?
The molecular weight of 1-(4-Methylbenzyl)-1h-pyrrole is 171.10 g/mol.
Where can I buy 1-(4-Methylbenzyl)-1h-pyrrole?
You can request a quote for 1-(4-Methylbenzyl)-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-(4-Methylbenzyl)-1h-pyrrole?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methylbenzyl)-1h-pyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.