RefChem:345112
TL;DR: RefChem:345112 (CAS 18801-36-0) is a chemical compound with molecular formula C20H23Cl2NO and molecular weight 363.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-chloro-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-(1-chloro-9,10-ethanoanthracen-9(10H)-yloxy)-N,N-dimethyl-, hydrochloride, 9,10-Dihydro-1-chloro-9-(2-(dimethylamino)ethoxy)-9,10-ethanoanthracene hydrochloride, 9,10-Ethanoanthracene, 9,10-dihydro-1-chloro-9-(2-(dimethylamino)ethoxy)-, hydrochloride, RefChem:345112
| Molecular Formula | C20H23Cl2NO |
|---|---|
| Molecular Weight | 363.12 g/mol |
| LogP | -0.01 |
| Topological Polar Surface Area | 13.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.11566 |
| Heavy Atoms | 24 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 18801-36-0 |
|---|---|
| SMILES | C[NH+](C)CCOC12CCC(C3=C1C(=CC=C3)Cl)C4=CC=CC=C24.[Cl-] |
| InChIKey | VPDBLBIQUCJSHI-UHFFFAOYSA-N |
Product Overview
RefChem:345112 (CAS 18801-36-0), with molecular formula C20H23Cl2NO and molecular weight 363.12 g/mol. IUPAC: 2-[(3-chloro-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:345112
Property Insights of RefChem:345112
The XLogP value of -0.01 indicates that RefChem:345112 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 13.7 Ų, RefChem:345112 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:345112 has 1 hydrogen bond donor(s) and 2 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:345112?
The CAS number of RefChem:345112 is 18801-36-0.
What is the molecular formula of RefChem:345112?
The molecular formula of RefChem:345112 is C20H23Cl2NO.
What is the molecular weight of RefChem:345112?
The molecular weight of RefChem:345112 is 363.12 g/mol.
Where can I buy RefChem:345112?
You can request a quote for RefChem:345112 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:345112?
Yes, KEHONG BIO provides custom synthesis services for RefChem:345112 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.