RefChem:117413
TL;DR: RefChem:117413 (CAS 49696-17-5) is a chemical compound with molecular formula C36H40Cl4N6O6Zn and molecular weight 856.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2,5-diethoxy-4-[(4-methylbenzoyl)amino]benzenediazonium);tetrachlorozinc(2-)
Also Known As: C18H20N3O3.1/2Cl4Zn, C18-H20-N3-O3.1/2Cl4-Zn, Benzenediazonium, 2,5-diethoxy-4-[(4-methylbenzoyl)amino]-, (T-4)-tetrachlorozincate(2-) (2:1), 4-(4'-Methyl)benzoylamino-2,5-diethoxybenzenediazonium chloride zinc chloride, Benzenediazonium, 2,5-diethoxy-4-((4-methylbenzoyl)amino)-, (T-4)-tetrachlorozincate(2-) (2:1)
| Molecular Formula | C36H40Cl4N6O6Zn |
|---|---|
| Molecular Weight | 856.11 g/mol |
| LogP | 11.8141 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 856.10547 |
| Heavy Atoms | 53 |
| Complexity | 473.0 |
Chemical Identifiers
| CAS Number | 49696-17-5 |
|---|---|
| SMILES | CCOC1=CC(=C(C=C1NC(=O)C2=CC=C(C=C2)C)OCC)[N+]#N.CCOC1=CC(=C(C=C1NC(=O)C2=CC=C(C=C2)C)OCC)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl |
| InChIKey | YOLXXRRKERAWPO-UHFFFAOYSA-L |
Product Overview
RefChem:117413 (CAS 49696-17-5), with molecular formula C36H40Cl4N6O6Zn and molecular weight 856.11 g/mol. IUPAC: bis(2,5-diethoxy-4-[(4-methylbenzoyl)amino]benzenediazonium);tetrachlorozinc(2-).
Chemical Property Profile of RefChem:117413
Property Insights of RefChem:117413
The XLogP value of 11.8141 indicates that RefChem:117413 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 151.0 Ų indicates high polarity, suggesting RefChem:117413 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:117413 has 2 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 RefChem:117413?
The CAS number of RefChem:117413 is 49696-17-5.
What is the molecular formula of RefChem:117413?
The molecular formula of RefChem:117413 is C36H40Cl4N6O6Zn.
What is the molecular weight of RefChem:117413?
The molecular weight of RefChem:117413 is 856.11 g/mol.
Where can I buy RefChem:117413?
You can request a quote for RefChem:117413 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:117413?
Yes, KEHONG BIO provides custom synthesis services for RefChem:117413 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.