RefChem:95771
TL;DR: RefChem:95771 (CAS 41311-17-5) is a chemical compound with molecular formula C42H50N4O8S and molecular weight 770.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2,4-dimethoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline);sulfate
Also Known As: C21H25N2O2.1/2O4S, C21-H25-N2-O2.1/2O4-S, 3H-Indolium, 2-(2-((2,4-dimethoxyphenyl)amino)ethenyl)-1,3,3-trimethyl-, sulfate (2:1), 3H-Indolium, 2-[2-[(2,4-dimethoxyphenyl)amino]ethenyl]-1,3,3-trimethyl-, sulfate (2:1), 2,4-dimethoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline sulfate
| Molecular Formula | C42H50N4O8S |
|---|---|
| Molecular Weight | 770.33 g/mol |
| LogP | 7.3332 |
| Topological Polar Surface Area | 147.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 770.33496 |
| Heavy Atoms | 55 |
| Complexity | 2090.5027 |
Chemical Identifiers
| CAS Number | 41311-17-5 |
|---|---|
| SMILES | CC1(C(=[N+](C2=CC=CC=C12)C)/C=C/NC3=C(C=C(C=C3)OC)OC)C.CC1(C(=[N+](C2=CC=CC=C12)C)/C=C/NC3=C(C=C(C=C3)OC)OC)C.[O-]S(=O)(=O)[O-] |
Product Overview
RefChem:95771 (CAS 41311-17-5), with molecular formula C42H50N4O8S and molecular weight 770.33 g/mol. IUPAC: bis(2,4-dimethoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline);sulfate.
Chemical Property Profile of RefChem:95771
Property Insights of RefChem:95771
The XLogP value of 7.3332 indicates that RefChem:95771 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 147.26 Ų indicates high polarity, suggesting RefChem:95771 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:95771 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:95771?
The CAS number of RefChem:95771 is 41311-17-5.
What is the molecular formula of RefChem:95771?
The molecular formula of RefChem:95771 is C42H50N4O8S.
What is the molecular weight of RefChem:95771?
The molecular weight of RefChem:95771 is 770.33 g/mol.
Where can I buy RefChem:95771?
You can request a quote for RefChem:95771 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:95771?
Yes, KEHONG BIO provides custom synthesis services for RefChem:95771 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.