RefChem:95763
TL;DR: RefChem:95763 (CAS 68957-44-8) is a chemical compound with molecular formula C50H54N6O8S2 and molecular weight 930.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(4-methoxy-N-methyl-N-[(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline);naphthalene-1,5-disulfonate
Also Known As: C20H24N3O.1/2C10H6O6S2, C20-H24-N3-O.1/2C10-H6-O6-S2, 3H-Indolium, 2-[[(4-methoxyphenyl)methylhydrazono]methyl]-1,3,3-trimethyl-, 1,5-naphthalenedisulfonate (2:1), 3H-Indolium, 2-(((4-methoxyphenyl)methylhydrazono)methyl)-1,3,3-trimethyl-, 1,5-naphthalenedisulfonate (2:1), 3H-Indolium, 2-((2-(4-methoxyphenyl)-2-methylhydrazinylidene)methyl)-1,3,3-trimethyl-, 1,5-naphthalenedisulfonate (2:1)
| Molecular Formula | C50H54N6O8S2 |
|---|---|
| Molecular Weight | 930.34 g/mol |
| LogP | 8.29 |
| Topological Polar Surface Area | 187.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 930.3445 |
| Heavy Atoms | 66 |
| Complexity | 926.0 |
Chemical Identifiers
| CAS Number | 68957-44-8 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2[N+](=C1C=NN(C)C3=CC=C(C=C3)OC)C)C.CC1(C2=CC=CC=C2[N+](=C1C=NN(C)C3=CC=C(C=C3)OC)C)C.C1=CC2=C(C=CC=C2S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-] |
| InChIKey | YVZAGFPTINAMFH-UHFFFAOYSA-L |
Product Overview
RefChem:95763 (CAS 68957-44-8), with molecular formula C50H54N6O8S2 and molecular weight 930.34 g/mol. IUPAC: bis(4-methoxy-N-methyl-N-[(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline);naphthalene-1,5-disulfonate.
Chemical Property Profile of RefChem:95763
Property Insights of RefChem:95763
The XLogP value of 8.29 indicates that RefChem:95763 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 187.0 Ų indicates high polarity, suggesting RefChem:95763 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:95763 has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:95763?
The CAS number of RefChem:95763 is 68957-44-8.
What is the molecular formula of RefChem:95763?
The molecular formula of RefChem:95763 is C50H54N6O8S2.
What is the molecular weight of RefChem:95763?
The molecular weight of RefChem:95763 is 930.34 g/mol.
Where can I buy RefChem:95763?
You can request a quote for RefChem:95763 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:95763?
Yes, KEHONG BIO provides custom synthesis services for RefChem:95763 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.