RefChem:117605
TL;DR: RefChem:117605 (CAS 40948-42-3) is a chemical compound with molecular formula C52H76Cl2N12O6 and molecular weight 1034.54 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(3-aminopropyl)-[[3-[[1-[4-[4-[[2-[[5-[[bis(3-aminopropyl)-methylazaniumyl]methyl]-2-methoxyphenyl]diazenyl]-3-oxobutanoyl]amino]-3-methylphenyl]-2-methylanilino]-1,3-dioxobutan-2-yl]diazenyl]-4-methoxyphenyl]methyl]-methylazanium dichloride
Also Known As: Formamide,N,N'-((methylimino)di-3,1-propanediyl)bis, Benzenemethanaminium, 3,3'-((3,3'-dimethyl(1,1'-biphenyl)-4,4'-diyl)bis(imino(1-acetyl-2-oxo-2,1-ethanediyl)azo))bis(N,N-bis(3-aminopropyl)-4-methoxy-N-methyl-, dichloride, 3,3'-[ bis[imino azo]]bis[bis methylammonium]dichloride, Benzenemethanaminium, 3,3'-((3,3'-dimethyl(1,1'-biphenyl)-4,4'-diyl)bis(imino(1-acetyl-2-oxo-2,1-ethanediyl)-2,1-diazenediyl))bis(N,N-bis(3-aminopropyl)-4-methoxy-N-methyl-, chloride (1:2), Benzenemethanaminium, 3,3'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis[imino(1-acetyl-2-oxo-2,1-ethanediyl)-2,1-diazenediyl]]bis[N,N-bis(3-aminopropyl)-4-methoxy-N-methyl-, chloride (1:2)
| Molecular Formula | C52H76Cl2N12O6 |
|---|---|
| Molecular Weight | 1034.54 g/mol |
| LogP | 0.64404 |
| Topological Polar Surface Area | 264.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 29 |
| Exact Mass | 1034.5388 |
| Heavy Atoms | 72 |
| Complexity | 1540.0 |
Chemical Identifiers
| CAS Number | 40948-42-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=O)C(C(=O)C)N=NC3=C(C=CC(=C3)C[N+](C)(CCCN)CCCN)OC)C)NC(=O)C(C(=O)C)N=NC4=C(C=CC(=C4)C[N+](C)(CCCN)CCCN)OC.[Cl-].[Cl-] |
| InChIKey | GGXXCWAZEOQWQY-UHFFFAOYSA-N |
Product Overview
RefChem:117605 (CAS 40948-42-3), with molecular formula C52H76Cl2N12O6 and molecular weight 1034.54 g/mol. IUPAC: bis(3-aminopropyl)-[[3-[[1-[4-[4-[[2-[[5-[[bis(3-aminopropyl)-methylazaniumyl]methyl]-2-methoxyphenyl]diazenyl]-3-oxobutanoyl]amino]-3-methylphenyl]-2-methylanilino]-1,3-dioxobutan-2-yl]diazenyl]-4-methoxyphenyl]methyl]-methylazanium dichloride.
Chemical Property Profile of RefChem:117605
Property Insights of RefChem:117605
The XLogP value of 0.64404 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:117605. The TPSA of 264.0 Ų indicates high polarity, suggesting RefChem:117605 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:117605 has 6 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:117605?
The CAS number of RefChem:117605 is 40948-42-3.
What is the molecular formula of RefChem:117605?
The molecular formula of RefChem:117605 is C52H76Cl2N12O6.
What is the molecular weight of RefChem:117605?
The molecular weight of RefChem:117605 is 1034.54 g/mol.
Where can I buy RefChem:117605?
You can request a quote for RefChem:117605 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:117605?
Yes, KEHONG BIO provides custom synthesis services for RefChem:117605 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.