RefChem:345120
TL;DR: RefChem:345120 (CAS 17185-22-7) is a chemical compound with molecular formula C21H25Cl2NO and molecular weight 377.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-chloro-3-methyl-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-(3-chloro-9,10-ethanoanthracen-9(10H)-yloxy)-N,N,1-trimethyl-, hydrochloride, 9,10-Dihydro-3-chloro-9-(2-(dimethylamino)propoxy)-9,10-ethanoanthracene hydrochloride, 9,10-Ethanoanthracene, 9,10-dihydro-3-chloro-9-(2-(dimethylamino)propoxy)-, hydrochloride, RefChem:345120
| Molecular Formula | C21H25Cl2NO |
|---|---|
| Molecular Weight | 377.13 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 13.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.13132 |
| Heavy Atoms | 25 |
| Complexity | 455.0 |
Chemical Identifiers
| CAS Number | 17185-22-7 |
|---|---|
| SMILES | CC1=CC(=CC2=C1C3(CCC2C4=CC=CC=C43)OCC[NH+](C)C)Cl.[Cl-] |
| InChIKey | GKBNSSRPQHJMPS-UHFFFAOYSA-N |
Product Overview
RefChem:345120 (CAS 17185-22-7), with molecular formula C21H25Cl2NO and molecular weight 377.13 g/mol. IUPAC: 2-[(5-chloro-3-methyl-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:345120
Property Insights of RefChem:345120
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:345120. With a topological polar surface area (TPSA) of 13.7 Ų, RefChem:345120 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:345120 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:345120?
The CAS number of RefChem:345120 is 17185-22-7.
What is the molecular formula of RefChem:345120?
The molecular formula of RefChem:345120 is C21H25Cl2NO.
What is the molecular weight of RefChem:345120?
The molecular weight of RefChem:345120 is 377.13 g/mol.
Where can I buy RefChem:345120?
You can request a quote for RefChem:345120 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:345120?
Yes, KEHONG BIO provides custom synthesis services for RefChem:345120 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.