RefChem:95792
TL;DR: RefChem:95792 (CAS 68140-79-4) is a chemical compound with molecular formula C22H27ClN2O and molecular weight 370.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[N-methyl-4-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]anilino]ethanol chloride
Also Known As: 2-[2-[4-[(2-hydroxyethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium chloride, 3H-Indolium, 2-[2-[4-[(2-hydroxyethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl-, chloride, 1,3,3-Trimethyl-2-(2-(4-(N-methyl-N-beta-hydroxyethylamino)phenyl)vinyl)indolium chloride, 3H-Indolium, 2-(2-(4-((2-hydroxyethyl)methylamino)phenyl)ethenyl)-1,3,3-trimethyl-, chloride, 3H-Indolium, 2-(2-(4-((2-hydroxyethyl)methylamino)phenyl)ethenyl)-1,3,3-trimethyl-, chloride (1:1)
| Molecular Formula | C22H27ClN2O |
|---|---|
| Molecular Weight | 370.18 g/mol |
| LogP | 0.84 |
| Topological Polar Surface Area | 26.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 370.18118 |
| Heavy Atoms | 26 |
| Complexity | 514.0 |
Chemical Identifiers
| CAS Number | 68140-79-4 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2[N+](=C1C=CC3=CC=C(C=C3)N(C)CCO)C)C.[Cl-] |
| InChIKey | CNDSGMUBKLFQGY-UHFFFAOYSA-M |
Product Overview
RefChem:95792 (CAS 68140-79-4), with molecular formula C22H27ClN2O and molecular weight 370.18 g/mol. IUPAC: 2-[N-methyl-4-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]anilino]ethanol chloride.
Chemical Property Profile of RefChem:95792
Property Insights of RefChem:95792
The XLogP value of 0.84 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:95792. With a topological polar surface area (TPSA) of 26.5 Ų, RefChem:95792 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:95792 has 1 hydrogen bond donor(s) and 3 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:95792?
The CAS number of RefChem:95792 is 68140-79-4.
What is the molecular formula of RefChem:95792?
The molecular formula of RefChem:95792 is C22H27ClN2O.
What is the molecular weight of RefChem:95792?
The molecular weight of RefChem:95792 is 370.18 g/mol.
Where can I buy RefChem:95792?
You can request a quote for RefChem:95792 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:95792?
Yes, KEHONG BIO provides custom synthesis services for RefChem:95792 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.