RefChem:345125
TL;DR: RefChem:345125 (CAS 18801-44-0) is a chemical compound with molecular formula C20H24ClNO2 and molecular weight 345.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hydroxy-dimethyl-[2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyloxy)ethyl]azanium chloride
Also Known As: Ethylamine, 2-(9,10-ethanoanthracen-9(10H)-yloxy)-N,N-dimethyl-, N-oxide, hydrochloride, 9,10-Dihydro-9-(2-(dimethylamino)ethoxy)-9,10-ethanoanthracene N-oxide hydrochloride, 9,10-Ethanoanthracene, 9,10-dihydro-9-(2-(dimethylamino)ethoxy)-, N-oxide, hydrochloride, N-Oxyde de (dimethylamino-2 ethoxy)-9 dihydro-9,10 ethano-9,10 anthracene et chlorhydrate, {2-[(9,10-Ethanoanthracen-9(10H)-yl)oxy]ethyl}(hydroxy)di(methyl)ammonium chloride
| Molecular Formula | C20H24ClNO2 |
|---|---|
| Molecular Weight | 345.15 g/mol |
| LogP | 0.66 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.14957 |
| Heavy Atoms | 24 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 18801-44-0 |
|---|---|
| SMILES | C[N+](C)(CCOC12CCC(C3=CC=CC=C31)C4=CC=CC=C24)O.[Cl-] |
| InChIKey | WZGCGIUJEMAKLN-UHFFFAOYSA-M |
Product Overview
RefChem:345125 (CAS 18801-44-0), with molecular formula C20H24ClNO2 and molecular weight 345.15 g/mol. IUPAC: hydroxy-dimethyl-[2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyloxy)ethyl]azanium chloride.
Chemical Property Profile of RefChem:345125
Property Insights of RefChem:345125
The XLogP value of 0.66 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:345125. With a topological polar surface area (TPSA) of 29.5 Ų, RefChem:345125 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:345125 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:345125?
The CAS number of RefChem:345125 is 18801-44-0.
What is the molecular formula of RefChem:345125?
The molecular formula of RefChem:345125 is C20H24ClNO2.
What is the molecular weight of RefChem:345125?
The molecular weight of RefChem:345125 is 345.15 g/mol.
Where can I buy RefChem:345125?
You can request a quote for RefChem:345125 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:345125?
Yes, KEHONG BIO provides custom synthesis services for RefChem:345125 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.