C44H42N6O3.2Br
TL;DR: C44H42N6O3.2Br (CAS 79080-83-4) is a chemical compound with molecular formula C44H42Br2N6O3 and molecular weight 860.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[3-[2-[2-[3-(3,8-diamino-5-methylphenanthridin-5-ium-6-yl)phenoxy]ethoxy]ethoxy]phenyl]-5-methylphenanthridin-5-ium-3,8-diamine dibromide
Also Known As: 6,6'-[oxybis(ethane-2,1-diyloxybenzene-3,1-diyl)]bis(3,8-diamino-5-methylphenanthridinium) dibromide, 6-[3-[2-[2-[3-(3,8-diamino-5-methylphenanthridin-5-ium-6-yl), Phenanthridinium, 6,6'-(oxybis(2,1-ethanediyloxy-3,1-phenylene)bis(3,8-diamino-5-methyl-, dibromide, 6-[3-[2-[2-[3-(3,8-diamino-5-methylphenanthridin-5-ium-6-yl)phenoxy]ethoxy]ethoxy]phenyl]-5-methylphenanthridin-5-ium-3,8-diamine dibromide, 6-[3-[2-[2-[3-(3,8-diamino-5-methylphenanthridin-5-ium-6-yl)phenoxy]ethoxy]ethoxy]phenyl]-5-methylphenanthridin-5-ium-3,8-diamine,dibromide
| Molecular Formula | C44H42Br2N6O3 |
|---|---|
| Molecular Weight | 860.17 g/mol |
| LogP | 1.09 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 862.16644 |
| Heavy Atoms | 55 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 79080-83-4 |
|---|---|
| SMILES | C[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC(=CC=C4)OCCOCCOC5=CC=CC(=C5)C6=C7C=C(C=CC7=C8C=CC(=CC8=[N+]6C)N)N)N)N.[Br-].[Br-] |
| InChIKey | KVOAADWZAVKOLX-UHFFFAOYSA-N |
Product Overview
C44H42N6O3.2Br (CAS 79080-83-4), with molecular formula C44H42Br2N6O3 and molecular weight 860.17 g/mol. IUPAC: 6-[3-[2-[2-[3-(3,8-diamino-5-methylphenanthridin-5-ium-6-yl)phenoxy]ethoxy]ethoxy]phenyl]-5-methylphenanthridin-5-ium-3,8-diamine dibromide.
Chemical Property Profile of C44H42N6O3.2Br
Property Insights of C44H42N6O3.2Br
The XLogP value of 1.09 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C44H42N6O3.2Br. The TPSA of 140.0 Ų indicates high polarity, suggesting C44H42N6O3.2Br may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C44H42N6O3.2Br has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C44H42N6O3.2Br?
The CAS number of C44H42N6O3.2Br is 79080-83-4.
What is the molecular formula of C44H42N6O3.2Br?
The molecular formula of C44H42N6O3.2Br is C44H42Br2N6O3.
What is the molecular weight of C44H42N6O3.2Br?
The molecular weight of C44H42N6O3.2Br is 860.17 g/mol.
Where can I buy C44H42N6O3.2Br?
You can request a quote for C44H42N6O3.2Br directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C44H42N6O3.2Br?
Yes, KEHONG BIO provides custom synthesis services for C44H42N6O3.2Br and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.