3-benzyl-2,5-diphenyl-1H-pyrrole
TL;DR: 3-benzyl-2,5-diphenyl-1H-pyrrole (CAS 70487-23-9) is a chemical compound with molecular formula C23H19N and molecular weight 309.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-2,5-diphenyl-1H-pyrrole
Also Known As: 3-benzyl-2,5-diphenyl-1H-pyrrole, 2,5-Diphenyl-3-benzyl-1H-pyrrole, J3.213.823C
| Molecular Formula | C23H19N |
|---|---|
| Molecular Weight | 309.15 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 15.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.15176 |
| Heavy Atoms | 24 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 70487-23-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=C(NC(=C2)C3=CC=CC=C3)C4=CC=CC=C4 |
| InChIKey | SCCVMQGSBHWOFB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-benzyl-2,5-diphenyl-1H-pyrrole (CAS 70487-23-9), with molecular formula C23H19N and molecular weight 309.15 g/mol. IUPAC: 3-benzyl-2,5-diphenyl-1H-pyrrole.
Chemical Property Profile of 3-benzyl-2,5-diphenyl-1H-pyrrole
Property Insights of 3-benzyl-2,5-diphenyl-1H-pyrrole
The XLogP value of 6.0 indicates that 3-benzyl-2,5-diphenyl-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, 3-benzyl-2,5-diphenyl-1H-pyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-benzyl-2,5-diphenyl-1H-pyrrole has 1 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-benzyl-2,5-diphenyl-1H-pyrrole?
The CAS number of 3-benzyl-2,5-diphenyl-1H-pyrrole is 70487-23-9.
What is the molecular formula of 3-benzyl-2,5-diphenyl-1H-pyrrole?
The molecular formula of 3-benzyl-2,5-diphenyl-1H-pyrrole is C23H19N.
What is the molecular weight of 3-benzyl-2,5-diphenyl-1H-pyrrole?
The molecular weight of 3-benzyl-2,5-diphenyl-1H-pyrrole is 309.15 g/mol.
Where can I buy 3-benzyl-2,5-diphenyl-1H-pyrrole?
You can request a quote for 3-benzyl-2,5-diphenyl-1H-pyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-benzyl-2,5-diphenyl-1H-pyrrole?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-2,5-diphenyl-1H-pyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.