Benzindopyrinehydrochlorid
TL;DR: Benzindopyrinehydrochlorid (CAS 5585-71-7) is a chemical compound with molecular formula C22H21ClN2 and molecular weight 348.14 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)-1H-indol-1-ium chloride
Also Known As: Pyrbenzindole, Benzindopyrine, Purbenzindole, Benzindopyrine HCl, Benzindopyrine hydrochloride
| Molecular Formula | C22H21ClN2 |
|---|---|
| Molecular Weight | 348.14 g/mol |
| LogP | 0.79 |
| Topological Polar Surface Area | 17.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 348.1393 |
| Heavy Atoms | 25 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 5585-71-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[NH+]2C=C(C3=CC=CC=C32)CCC4=CC=NC=C4.[Cl-] |
| InChIKey | FPHIGGMDBMWPDB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzindopyrinehydrochlorid (CAS 5585-71-7), with molecular formula C22H21ClN2 and molecular weight 348.14 g/mol. IUPAC: 1-benzyl-3-(2-pyridin-4-ylethyl)-1H-indol-1-ium chloride.
Chemical Property Profile of Benzindopyrinehydrochlorid
Property Insights of Benzindopyrinehydrochlorid
The XLogP value of 0.79 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzindopyrinehydrochlorid. With a topological polar surface area (TPSA) of 17.3 Ų, Benzindopyrinehydrochlorid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzindopyrinehydrochlorid has 1 hydrogen bond donor(s) and 2 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 Benzindopyrinehydrochlorid?
The CAS number of Benzindopyrinehydrochlorid is 5585-71-7.
What is the molecular formula of Benzindopyrinehydrochlorid?
The molecular formula of Benzindopyrinehydrochlorid is C22H21ClN2.
What is the molecular weight of Benzindopyrinehydrochlorid?
The molecular weight of Benzindopyrinehydrochlorid is 348.14 g/mol.
Where can I buy Benzindopyrinehydrochlorid?
You can request a quote for Benzindopyrinehydrochlorid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzindopyrinehydrochlorid?
Yes, KEHONG BIO provides custom synthesis services for Benzindopyrinehydrochlorid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.