C20H22ClNO.ClH
TL;DR: C20H22ClNO.ClH (CAS 18801-33-7) 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-[(6-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-(4-chloro-9,10-ethanoanthracen-9(10H)-yloxy)-N,N-dimethyl-, hydrochloride, 9,10-Dihydro-4-chloro-9-(2-(dimethylamino)ethoxy)-9,10-ethanoanthracene hydrochloride, 9,10-Ethanoanthracene, 9,10-dihydro-4-chloro-9-(2-(dimethylamino)ethoxy)-, hydrochloride, RefChem:345122
| 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 | 18801-33-7 |
|---|---|
| SMILES | C[NH+](C)CCOC12CCC(C3=CC=CC=C31)C4=C2C=CC=C4Cl.[Cl-] |
| InChIKey | PZBMBVWSONYJLR-UHFFFAOYSA-N |
Product Overview
C20H22ClNO.ClH (CAS 18801-33-7), with molecular formula C20H23Cl2NO and molecular weight 363.12 g/mol. IUPAC: 2-[(6-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 C20H22ClNO.ClH
Property Insights of C20H22ClNO.ClH
The XLogP value of -0.01 indicates that C20H22ClNO.ClH 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, C20H22ClNO.ClH exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C20H22ClNO.ClH 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 C20H22ClNO.ClH?
The CAS number of C20H22ClNO.ClH is 18801-33-7.
What is the molecular formula of C20H22ClNO.ClH?
The molecular formula of C20H22ClNO.ClH is C20H23Cl2NO.
What is the molecular weight of C20H22ClNO.ClH?
The molecular weight of C20H22ClNO.ClH is 363.12 g/mol.
Where can I buy C20H22ClNO.ClH?
You can request a quote for C20H22ClNO.ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H22ClNO.ClH?
Yes, KEHONG BIO provides custom synthesis services for C20H22ClNO.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.