RefChem:329249
TL;DR: RefChem:329249 (CAS 62374-07-6) is a chemical compound with molecular formula C16H20Cl3N and molecular weight 331.07 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-methylazanium chloride
Also Known As: Bicyclo(2.2.2)oct-2-ene-2-methylamine, 3-(3,4-dichlorophenyl)-N-methyl-, hydrochloride, 2-(3,4-Dichlorophenyl)-3-(methylaminomethyl)bicyclo(2.2.2)oct-2-ene, hydrochloride, [3-(3,4-dichlorophenyl)-2-bicyclo[2.2.2]oct-2-enyl]methyl-methylazanium chloride, Bicyclo[2.2.2]oct-2-ene-2-methanamine, 3-(3,4-dichlorophenyl)-N-methyl-, hydrochloride, RefChem:329249
| Molecular Formula | C16H20Cl3N |
|---|---|
| Molecular Weight | 331.07 g/mol |
| LogP | 0.76 |
| Topological Polar Surface Area | 16.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.06613 |
| Heavy Atoms | 20 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 62374-07-6 |
|---|---|
| SMILES | C[NH2+]CC1=C(C2CCC1CC2)C3=CC(=C(C=C3)Cl)Cl.[Cl-] |
| InChIKey | TVSRNCDLBDQCCC-UHFFFAOYSA-N |
Product Overview
RefChem:329249 (CAS 62374-07-6), with molecular formula C16H20Cl3N and molecular weight 331.07 g/mol. IUPAC: [3-(3,4-dichlorophenyl)-2-bicyclo[2.2.2]oct-2-enyl]methyl-methylazanium chloride.
Chemical Property Profile of RefChem:329249
Property Insights of RefChem:329249
The XLogP value of 0.76 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:329249. With a topological polar surface area (TPSA) of 16.6 Ų, RefChem:329249 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:329249 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:329249?
The CAS number of RefChem:329249 is 62374-07-6.
What is the molecular formula of RefChem:329249?
The molecular formula of RefChem:329249 is C16H20Cl3N.
What is the molecular weight of RefChem:329249?
The molecular weight of RefChem:329249 is 331.07 g/mol.
Where can I buy RefChem:329249?
You can request a quote for RefChem:329249 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:329249?
Yes, KEHONG BIO provides custom synthesis services for RefChem:329249 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.