RefChem:95741
TL;DR: RefChem:95741 (CAS 68134-37-2) is a chemical compound with molecular formula C25H26ClN3O and molecular weight 419.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-4-phenoxy-N-[(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline chloride
Also Known As: 1,3,3-trimethyl-2-[[methyl hydrazono]methyl]-3H-indoliumchloride, 3H-Indolium, 1,3,3-trimethyl-2-[[methyl(4-phenoxyphenyl)hydrazono]methyl]-, chloride, 3H-Indolium, 1,3,3-trimethyl-2-[[2-methyl-2-(4-phenoxyphenyl)hydrazinylidene]methyl]-, chloride (1:1), 1,3,3-Trimethyl-2-(N-methyl-N-(p-phenoxyphenyl)hydrazonomethyl)indolium chloride, 3H-Indolium, 1,3,3-trimethyl-2-((methyl(4-phenoxyphenyl)hydrazono)methyl)-, chloride
| Molecular Formula | C25H26ClN3O |
|---|---|
| Molecular Weight | 419.18 g/mol |
| LogP | 2.61 |
| Topological Polar Surface Area | 27.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 419.17645 |
| Heavy Atoms | 30 |
| Complexity | 612.0 |
Chemical Identifiers
| CAS Number | 68134-37-2 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2[N+](=C1C=NN(C)C3=CC=C(C=C3)OC4=CC=CC=C4)C)C.[Cl-] |
| InChIKey | KZMQAMBZFIAEHN-UHFFFAOYSA-M |
Product Overview
RefChem:95741 (CAS 68134-37-2), with molecular formula C25H26ClN3O and molecular weight 419.18 g/mol. IUPAC: N-methyl-4-phenoxy-N-[(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline chloride.
Chemical Property Profile of RefChem:95741
Property Insights of RefChem:95741
The XLogP value of 2.61 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:95741. With a topological polar surface area (TPSA) of 27.8 Ų, RefChem:95741 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:95741 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:95741?
The CAS number of RefChem:95741 is 68134-37-2.
What is the molecular formula of RefChem:95741?
The molecular formula of RefChem:95741 is C25H26ClN3O.
What is the molecular weight of RefChem:95741?
The molecular weight of RefChem:95741 is 419.18 g/mol.
Where can I buy RefChem:95741?
You can request a quote for RefChem:95741 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:95741?
Yes, KEHONG BIO provides custom synthesis services for RefChem:95741 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.