RefChem:117645
TL;DR: RefChem:117645 (CAS 66225-56-7) is a chemical compound with molecular formula C37H35N2NaO6S2 and molecular weight 690.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 2-[[4-[benzyl(ethyl)amino]phenyl]-[4-[benzyl(ethyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]benzene-1,4-disulfonate
Also Known As: Benzenemethanaminium, N-(4-((2,5-disulfophenyl)(4-(ethyl(phenylmethyl)amino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, inner salt, sodium salt, Benzenemethanaminium, N-(4-((2,5-disulfophenyl)(4-(ethyl(phenylmethyl)amino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, inner salt, sodium salt (1:1), Benzenemethanaminium, N-[4-[(2,5-disulfophenyl)[4-[ethyl(phenylmethyl)amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, inner salt, sodium salt, Benzenemethanaminium, N-[4-[(2,5-disulfophenyl)[4-[ethyl(phenylmethyl)amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, hydroxide, inner salt, sodium salt, Benzenemethanaminium, N-[4-[(2,5-disulfophenyl)[4-[ethyl(phenylmethyl)amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, inner salt, sodium salt (1:1)
| Molecular Formula | C37H35N2NaO6S2 |
|---|---|
| Molecular Weight | 690.18 g/mol |
| LogP | 3.1268 |
| Topological Polar Surface Area | 120.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 690.1834 |
| Heavy Atoms | 48 |
| Complexity | 2074.1045 |
Chemical Identifiers
| CAS Number | 66225-56-7 |
|---|---|
| SMILES | CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC=CC=C4)C=C3)C5=C(C=CC(=C5)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+] |
Product Overview
RefChem:117645 (CAS 66225-56-7), with molecular formula C37H35N2NaO6S2 and molecular weight 690.18 g/mol. IUPAC: sodium 2-[[4-[benzyl(ethyl)amino]phenyl]-[4-[benzyl(ethyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]benzene-1,4-disulfonate.
Chemical Property Profile of RefChem:117645
Property Insights of RefChem:117645
The XLogP value of 3.1268 indicates that RefChem:117645 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.65 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:117645. Following Lipinski's Rule of Five, RefChem:117645 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:117645?
The CAS number of RefChem:117645 is 66225-56-7.
What is the molecular formula of RefChem:117645?
The molecular formula of RefChem:117645 is C37H35N2NaO6S2.
What is the molecular weight of RefChem:117645?
The molecular weight of RefChem:117645 is 690.18 g/mol.
Where can I buy RefChem:117645?
You can request a quote for RefChem:117645 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:117645?
Yes, KEHONG BIO provides custom synthesis services for RefChem:117645 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.