RefChem:156887
TL;DR: RefChem:156887 (CAS 85585-95-1) is a chemical compound with molecular formula C39H38N3O3S+ and molecular weight 628.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzenesulfonic acid;[4-[bis[4-(dimethylamino)phenyl]methylidene]naphthalen-1-ylidene]-phenylazanium
Also Known As: Methanaminium, N-(4-((4-(dimethylamino)phenyl)(4-(phenylamino)-1-naphthalenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, salt with C10-14-alkylbenzenesulfonic acid (1:1), Methanaminium, N-[4-[[4-(dimethylamino)phenyl][4-(phenylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, salt with C10-14-alkylbenzenesulfonic acid (1:1), 287-798-6, benzenesulfonic acid; [4-[bis(4-dimethylaminophenyl)methylidene]naphthalen-1-ylidene]-phenylazanium, Methanaminium, N-4-4-(dimethylamino)phenyl4-(phenylamino)-1-naphthalenylmethylene-2,5-cyclohexadien-1-ylidene-N-methyl-, salt with C10-14-alkylbenzenesulfonic acid (1:1)
| Molecular Formula | C39H38N3O3S+ |
|---|---|
| Molecular Weight | 628.26 g/mol |
| LogP | 6.4822 |
| Topological Polar Surface Area | 83.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 628.26337 |
| Heavy Atoms | 46 |
| Complexity | 952.0 |
Chemical Identifiers
| CAS Number | 85585-95-1 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[NH+]C3=CC=CC=C3)C4=CC=CC=C24)C5=CC=C(C=C5)N(C)C.C1=CC=C(C=C1)S(=O)(=O)O |
| InChIKey | PZMODFCLPHSYJR-UHFFFAOYSA-O |
Product Overview
RefChem:156887 (CAS 85585-95-1), with molecular formula C39H38N3O3S+ and molecular weight 628.26 g/mol. IUPAC: benzenesulfonic acid;[4-[bis[4-(dimethylamino)phenyl]methylidene]naphthalen-1-ylidene]-phenylazanium.
Chemical Property Profile of RefChem:156887
Property Insights of RefChem:156887
The XLogP value of 6.4822 indicates that RefChem:156887 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:156887. Following Lipinski's Rule of Five, RefChem:156887 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:156887?
The CAS number of RefChem:156887 is 85585-95-1.
What is the molecular formula of RefChem:156887?
The molecular formula of RefChem:156887 is C39H38N3O3S+.
What is the molecular weight of RefChem:156887?
The molecular weight of RefChem:156887 is 628.26 g/mol.
Where can I buy RefChem:156887?
You can request a quote for RefChem:156887 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:156887?
Yes, KEHONG BIO provides custom synthesis services for RefChem:156887 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.