Benzindopyrine
TL;DR: Benzindopyrine (CAS 16571-59-8) is a chemical compound with molecular formula C22H20N2 and molecular weight 312.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-(2-pyridin-4-ylethyl)indole
Also Known As: Benzindopyrine, bencindopirina, Purbenzindole, Pyrbenzindole, benzindopyrinum
| Molecular Formula | C22H20N2 |
|---|---|
| Molecular Weight | 312.16 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 17.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 312.16266 |
| Heavy Atoms | 24 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 16571-59-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)CCC4=CC=NC=C4 |
| InChIKey | VRJCKJKZCZLXBK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzindopyrine (CAS 16571-59-8), with molecular formula C22H20N2 and molecular weight 312.16 g/mol. IUPAC: 1-benzyl-3-(2-pyridin-4-ylethyl)indole.
Chemical Property Profile of Benzindopyrine
Property Insights of Benzindopyrine
The XLogP value of 4.7 indicates that Benzindopyrine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.8 Ų, Benzindopyrine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzindopyrine has 0 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 Benzindopyrine?
The CAS number of Benzindopyrine is 16571-59-8.
What is the molecular formula of Benzindopyrine?
The molecular formula of Benzindopyrine is C22H20N2.
What is the molecular weight of Benzindopyrine?
The molecular weight of Benzindopyrine is 312.16 g/mol.
Where can I buy Benzindopyrine?
You can request a quote for Benzindopyrine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzindopyrine?
Yes, KEHONG BIO provides custom synthesis services for Benzindopyrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.