Phenanthridinium, 3,8-diamino-5-methyl-6-phenyl-, bromide (1:1)
TL;DR: Phenanthridinium, 3,8-diamino-5-methyl-6-phenyl-, bromide (1:1) (CAS 518-67-2) is a chemical compound with molecular formula C20H18BrN3 and molecular weight 379.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-6-phenylphenanthridin-5-ium-3,8-diamine bromide
Also Known As: Dimidium bromide, Trypadine, Dimidiumbromide, Dimidium, Phenanthridinium 1553
| Molecular Formula | C20H18BrN3 |
|---|---|
| Molecular Weight | 379.07 g/mol |
| LogP | 0.65 |
| Topological Polar Surface Area | 55.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 379.06842 |
| Heavy Atoms | 24 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 518-67-2 |
|---|---|
| SMILES | C[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N.[Br-] |
| InChIKey | MQOKYEROIFEEBH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenanthridinium, 3,8-diamino-5-methyl-6-phenyl-, bromide (1:1) (CAS 518-67-2), with molecular formula C20H18BrN3 and molecular weight 379.07 g/mol. IUPAC: 5-methyl-6-phenylphenanthridin-5-ium-3,8-diamine bromide.
Chemical Property Profile of Phenanthridinium, 3,8-diamino-5-methyl-6-phenyl-, bromide (1:1)
Property Insights of Phenanthridinium, 3,8-diamino-5-methyl-6-phenyl-, bromide (1:1)
The XLogP value of 0.65 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenanthridinium, 3,8-diamino-5-methyl-6-phenyl-, bromide (1:1). With a topological polar surface area (TPSA) of 55.9 Ų, Phenanthridinium, 3,8-diamino-5-methyl-6-phenyl-, bromide (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenanthridinium, 3,8-diamino-5-methyl-6-phenyl-, bromide (1:1) has 2 hydrogen bond donor(s) and 3 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 Phenanthridinium, 3,8-diamino-5-methyl-6-phenyl-, bromide (1:1)?
The CAS number of Phenanthridinium, 3,8-diamino-5-methyl-6-phenyl-, bromide (1:1) is 518-67-2.
What is the molecular formula of Phenanthridinium, 3,8-diamino-5-methyl-6-phenyl-, bromide (1:1)?
The molecular formula of Phenanthridinium, 3,8-diamino-5-methyl-6-phenyl-, bromide (1:1) is C20H18BrN3.
What is the molecular weight of Phenanthridinium, 3,8-diamino-5-methyl-6-phenyl-, bromide (1:1)?
The molecular weight of Phenanthridinium, 3,8-diamino-5-methyl-6-phenyl-, bromide (1:1) is 379.07 g/mol.
Where can I buy Phenanthridinium, 3,8-diamino-5-methyl-6-phenyl-, bromide (1:1)?
You can request a quote for Phenanthridinium, 3,8-diamino-5-methyl-6-phenyl-, bromide (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenanthridinium, 3,8-diamino-5-methyl-6-phenyl-, bromide (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Phenanthridinium, 3,8-diamino-5-methyl-6-phenyl-, bromide (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.