EINECS 276-487-0
TL;DR: EINECS 276-487-0 (CAS 72214-26-7) is a chemical compound with molecular formula C38H46N4O2+2 and molecular weight 590.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-[3-[[4-[3-[benzyl(dimethyl)azaniumyl]propylamino]-9,10-dioxoanthracen-1-yl]amino]propyl]-dimethylazanium
Also Known As: EINECS 276-487-0, Benzenemethanaminium, N,N'-((9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)bis(imino-3,1-propanediyl))bis(N,N-dimethyl-, chloride (1:2), Benzenemethanaminium, N,N'-((9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)bis(imino-3,1-propanediyl))bis(N,N-dimethyl-, dichloride, ((9,10-Dihydro-9,10-dioxo-1,4-anthrylene)bis(iminopropane-1,3-diyl))bis(benzyldimethylammonium) dichloride, [(9,10-dihydro-9,10-dioxo-1,4-anthrylene)bis(iminopropane-1,3-diyl)]bis[benzyldimethylammonium] dichloride
| Molecular Formula | C38H46N4O2+2 |
|---|---|
| Molecular Weight | 590.36 g/mol |
| LogP | 6.6192 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 590.36206 |
| Heavy Atoms | 44 |
| Complexity | 1476.679 |
Chemical Identifiers
| CAS Number | 72214-26-7 |
|---|---|
| SMILES | C[N+](C)(CCCNC1=C2C(=C(C=C1)NCCC[N+](C)(C)CC3=CC=CC=C3)C(=O)C4=CC=CC=C4C2=O)CC5=CC=CC=C5 |
Product Overview
EINECS 276-487-0 (CAS 72214-26-7), with molecular formula C38H46N4O2+2 and molecular weight 590.36 g/mol. IUPAC: benzyl-[3-[[4-[3-[benzyl(dimethyl)azaniumyl]propylamino]-9,10-dioxoanthracen-1-yl]amino]propyl]-dimethylazanium.
Chemical Property Profile of EINECS 276-487-0
Property Insights of EINECS 276-487-0
The XLogP value of 6.6192 indicates that EINECS 276-487-0 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, EINECS 276-487-0 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, EINECS 276-487-0 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 276-487-0?
The CAS number of EINECS 276-487-0 is 72214-26-7.
What is the molecular formula of EINECS 276-487-0?
The molecular formula of EINECS 276-487-0 is C38H46N4O2+2.
What is the molecular weight of EINECS 276-487-0?
The molecular weight of EINECS 276-487-0 is 590.36 g/mol.
Where can I buy EINECS 276-487-0?
You can request a quote for EINECS 276-487-0 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 276-487-0?
Yes, KEHONG BIO provides custom synthesis services for EINECS 276-487-0 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.