RefChem:329248
TL;DR: RefChem:329248 (CAS 62420-71-7) is a chemical compound with molecular formula C17H22Cl3N and molecular weight 345.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(3,4-dichlorophenyl)-2-bicyclo[2.2.2]oct-2-enyl]methyl-dimethylazanium chloride
Also Known As: Bicyclo(2.2.2)oct-2-ene-2-methylamine, 3-(3,4-dichlorophenyl)-N,N-dimethyl-, hydrochloride, 2-(3,4-Dichlorophenyl)-3-(dimethylaminomethyl)bicyclo(2.2.2)oct-2-ene, hydrochloride, [3-(3,4-dichlorophenyl)-2-bicyclo[2.2.2]oct-2-enyl]methyl-dimethylazanium chloride, Bicyclo[2.2.2]oct-2-ene-2-methanamine, 3-(3,4-dichlorophenyl)-N,N-dimethyl-, hydrochloride, RefChem:329248
| Molecular Formula | C17H22Cl3N |
|---|---|
| Molecular Weight | 345.08 g/mol |
| LogP | 0.72 |
| Topological Polar Surface Area | 4.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.0818 |
| Heavy Atoms | 21 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 62420-71-7 |
|---|---|
| SMILES | C[NH+](C)CC1=C(C2CCC1CC2)C3=CC(=C(C=C3)Cl)Cl.[Cl-] |
| InChIKey | YRCGGPDKWCYLTC-UHFFFAOYSA-N |
Product Overview
RefChem:329248 (CAS 62420-71-7), with molecular formula C17H22Cl3N and molecular weight 345.08 g/mol. IUPAC: [3-(3,4-dichlorophenyl)-2-bicyclo[2.2.2]oct-2-enyl]methyl-dimethylazanium chloride.
Chemical Property Profile of RefChem:329248
Property Insights of RefChem:329248
The XLogP value of 0.72 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:329248. With a topological polar surface area (TPSA) of 4.4 Ų, RefChem:329248 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:329248 has 1 hydrogen bond donor(s) and 1 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:329248?
The CAS number of RefChem:329248 is 62420-71-7.
What is the molecular formula of RefChem:329248?
The molecular formula of RefChem:329248 is C17H22Cl3N.
What is the molecular weight of RefChem:329248?
The molecular weight of RefChem:329248 is 345.08 g/mol.
Where can I buy RefChem:329248?
You can request a quote for RefChem:329248 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:329248?
Yes, KEHONG BIO provides custom synthesis services for RefChem:329248 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.