3,8-Diamino-5-methyl-6-(phenylmethyl)phenanthridinium
TL;DR: 3,8-Diamino-5-methyl-6-(phenylmethyl)phenanthridinium (CAS 52705-84-7) is a chemical compound with molecular formula C21H20N3+ and molecular weight 314.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzyl-5-methylphenanthridin-5-ium-3,8-diamine
Also Known As: 660C47, 6-Benzyl-3,8-diamino-5-methylphenanthridinium bromide, Phenanthridinium, 6-benzyl-3,8-diamino-5-methyl-, bromide, 3,8-Diamino-6-benzyl-5-methylphenanthridin-5-ium, 6-benzyl-5-methylphenanthridin-5-ium-3,8-diamine
| Molecular Formula | C21H20N3+ |
|---|---|
| Molecular Weight | 314.17 g/mol |
| LogP | 3.5727 |
| Topological Polar Surface Area | 55.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 314.1657 |
| Heavy Atoms | 24 |
| Complexity | 1053.0059 |
Chemical Identifiers
| CAS Number | 52705-84-7 |
|---|---|
| SMILES | C[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1CC4=CC=CC=C4)N)N |
Product Overview
3,8-Diamino-5-methyl-6-(phenylmethyl)phenanthridinium (CAS 52705-84-7), with molecular formula C21H20N3+ and molecular weight 314.17 g/mol. IUPAC: 6-benzyl-5-methylphenanthridin-5-ium-3,8-diamine.
Chemical Property Profile of 3,8-Diamino-5-methyl-6-(phenylmethyl)phenanthridinium
Property Insights of 3,8-Diamino-5-methyl-6-(phenylmethyl)phenanthridinium
The XLogP value of 3.5727 indicates that 3,8-Diamino-5-methyl-6-(phenylmethyl)phenanthridinium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.92 Ų, 3,8-Diamino-5-methyl-6-(phenylmethyl)phenanthridinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,8-Diamino-5-methyl-6-(phenylmethyl)phenanthridinium has 2 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 3,8-Diamino-5-methyl-6-(phenylmethyl)phenanthridinium?
The CAS number of 3,8-Diamino-5-methyl-6-(phenylmethyl)phenanthridinium is 52705-84-7.
What is the molecular formula of 3,8-Diamino-5-methyl-6-(phenylmethyl)phenanthridinium?
The molecular formula of 3,8-Diamino-5-methyl-6-(phenylmethyl)phenanthridinium is C21H20N3+.
What is the molecular weight of 3,8-Diamino-5-methyl-6-(phenylmethyl)phenanthridinium?
The molecular weight of 3,8-Diamino-5-methyl-6-(phenylmethyl)phenanthridinium is 314.17 g/mol.
Where can I buy 3,8-Diamino-5-methyl-6-(phenylmethyl)phenanthridinium?
You can request a quote for 3,8-Diamino-5-methyl-6-(phenylmethyl)phenanthridinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,8-Diamino-5-methyl-6-(phenylmethyl)phenanthridinium?
Yes, KEHONG BIO provides custom synthesis services for 3,8-Diamino-5-methyl-6-(phenylmethyl)phenanthridinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.