3,8-Diamino-5-methyl-6-(2-thienyl)phenanthridinium bromide
TL;DR: 3,8-Diamino-5-methyl-6-(2-thienyl)phenanthridinium bromide (CAS 109654-95-7) is a chemical compound with molecular formula C18H16BrN3S and molecular weight 385.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-6-thiophen-2-ylphenanthridin-5-ium-3,8-diamine bromide
Also Known As: 3,8-Diamino-5-methyl-6-(2-thienyl)phenanthridinium bromide, Phenanthridinium, 3,8-diamino-5-methyl-6-(2-thienyl)-, bromide, 5-methyl-6-thiophen-2-ylphenanthridin-5-ium-3,8-diamine bromide, 3-Imino-5-methyl-6-(thiophen-2-yl)-3,5-dihydrophenanthridin-8-amine--hydrogen bromide (1/1), RefChem:1068037
| Molecular Formula | C18H16BrN3S |
|---|---|
| Molecular Weight | 385.02 g/mol |
| LogP | 0.7144 |
| Topological Polar Surface Area | 55.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 385.02484 |
| Heavy Atoms | 23 |
| Complexity | 1010.05994 |
Chemical Identifiers
| CAS Number | 109654-95-7 |
|---|---|
| SMILES | C[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CS4)N)N.[Br-] |
Product Overview
3,8-Diamino-5-methyl-6-(2-thienyl)phenanthridinium bromide (CAS 109654-95-7), with molecular formula C18H16BrN3S and molecular weight 385.02 g/mol. IUPAC: 5-methyl-6-thiophen-2-ylphenanthridin-5-ium-3,8-diamine bromide.
Chemical Property Profile of 3,8-Diamino-5-methyl-6-(2-thienyl)phenanthridinium bromide
Property Insights of 3,8-Diamino-5-methyl-6-(2-thienyl)phenanthridinium bromide
The XLogP value of 0.7144 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,8-Diamino-5-methyl-6-(2-thienyl)phenanthridinium bromide. With a topological polar surface area (TPSA) of 55.92 Ų, 3,8-Diamino-5-methyl-6-(2-thienyl)phenanthridinium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,8-Diamino-5-methyl-6-(2-thienyl)phenanthridinium bromide 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 3,8-Diamino-5-methyl-6-(2-thienyl)phenanthridinium bromide?
The CAS number of 3,8-Diamino-5-methyl-6-(2-thienyl)phenanthridinium bromide is 109654-95-7.
What is the molecular formula of 3,8-Diamino-5-methyl-6-(2-thienyl)phenanthridinium bromide?
The molecular formula of 3,8-Diamino-5-methyl-6-(2-thienyl)phenanthridinium bromide is C18H16BrN3S.
What is the molecular weight of 3,8-Diamino-5-methyl-6-(2-thienyl)phenanthridinium bromide?
The molecular weight of 3,8-Diamino-5-methyl-6-(2-thienyl)phenanthridinium bromide is 385.02 g/mol.
Where can I buy 3,8-Diamino-5-methyl-6-(2-thienyl)phenanthridinium bromide?
You can request a quote for 3,8-Diamino-5-methyl-6-(2-thienyl)phenanthridinium bromide 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-(2-thienyl)phenanthridinium bromide?
Yes, KEHONG BIO provides custom synthesis services for 3,8-Diamino-5-methyl-6-(2-thienyl)phenanthridinium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.