RefChem:345091
TL;DR: RefChem:345091 (CAS 17185-25-0) is a chemical compound with molecular formula C21H26ClNO2 and molecular weight 359.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methoxy-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaenyl)oxy]ethyl-dimethylazanium chloride
Also Known As: Ethylamine, 2-((2-methoxy-9,10-ethanoanthracen-9(10H)-yl)oxy)-N,N-dimethyl-, hydrochloride, 9,10-Dihydro-9-(2-(dimethylamino)ethoxy)-2-methoxy-9,10-ethanoanthracene hydrochloride, 9,10-Ethanoanthracene, 9,10-dihydro-9-(2-(dimethylamino)ethoxy)-2-methoxy-, hydrochloride, RefChem:345091
| Molecular Formula | C21H26ClNO2 |
|---|---|
| Molecular Weight | 359.17 g/mol |
| LogP | -0.66 |
| Topological Polar Surface Area | 22.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.1652 |
| Heavy Atoms | 25 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 17185-25-0 |
|---|---|
| SMILES | C[NH+](C)CCOC12CCC(C3=C1C=C(C=C3)OC)C4=CC=CC=C24.[Cl-] |
| InChIKey | XSXZEXOBUBYUGB-UHFFFAOYSA-N |
Product Overview
RefChem:345091 (CAS 17185-25-0), with molecular formula C21H26ClNO2 and molecular weight 359.17 g/mol. IUPAC: 2-[(4-methoxy-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaenyl)oxy]ethyl-dimethylazanium chloride.
Chemical Property Profile of RefChem:345091
Property Insights of RefChem:345091
The XLogP value of -0.66 indicates that RefChem:345091 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 22.9 Ų, RefChem:345091 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:345091 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:345091?
The CAS number of RefChem:345091 is 17185-25-0.
What is the molecular formula of RefChem:345091?
The molecular formula of RefChem:345091 is C21H26ClNO2.
What is the molecular weight of RefChem:345091?
The molecular weight of RefChem:345091 is 359.17 g/mol.
Where can I buy RefChem:345091?
You can request a quote for RefChem:345091 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:345091?
Yes, KEHONG BIO provides custom synthesis services for RefChem:345091 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.