RefChem:329283
TL;DR: RefChem:329283 (CAS 62373-90-4) is a chemical compound with molecular formula C16H22Cl3N and molecular weight 333.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S)-3-(3,4-dichlorophenyl)-2-bicyclo[2.2.2]octanyl]methyl-methylazanium chloride
Also Known As: Bicyclo(2.2.2)octane-2-methylamine, 3-(3,4-dichlorophenyl)-N-methyl-, hydrochloride, (Z)-, cis-2-(3,4-Dichlorophenyl)-3-methylaminomethylbicyclo(2.2.2)octane, hydrochloride, [(7R,8S)-8-(3,4-Dichlorophenyl)-7-bicyclo[2.2.2]octanyl]methyl-methylazanium chloride, [(2R,3S)-3-(3,4-dichlorophenyl)-2-bicyclo[2.2.2]octanyl]methyl-methylazanium chloride, BICYCLO(2.2.2)OCTANE-2-METHYLAMINE, 3-(3,4-DICHLOROPHENYL)-N-METHYL-, HYDROCHLOR
| Molecular Formula | C16H22Cl3N |
|---|---|
| Molecular Weight | 333.08 g/mol |
| LogP | 0.71 |
| Topological Polar Surface Area | 16.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.0818 |
| Heavy Atoms | 20 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 62373-90-4 |
|---|---|
| SMILES | C[NH2+]C[C@H]1[C@H](C2CCC1CC2)C3=CC(=C(C=C3)Cl)Cl.[Cl-] |
| InChIKey | UJDZTUBJBIXAGT-QYTBXVMCSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:329283 (CAS 62373-90-4), with molecular formula C16H22Cl3N and molecular weight 333.08 g/mol. IUPAC: [(2R,3S)-3-(3,4-dichlorophenyl)-2-bicyclo[2.2.2]octanyl]methyl-methylazanium chloride.
Chemical Property Profile of RefChem:329283
Property Insights of RefChem:329283
The XLogP value of 0.71 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:329283. With a topological polar surface area (TPSA) of 16.6 Ų, RefChem:329283 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:329283 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:329283?
The CAS number of RefChem:329283 is 62373-90-4.
What is the molecular formula of RefChem:329283?
The molecular formula of RefChem:329283 is C16H22Cl3N.
What is the molecular weight of RefChem:329283?
The molecular weight of RefChem:329283 is 333.08 g/mol.
Where can I buy RefChem:329283?
You can request a quote for RefChem:329283 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:329283?
Yes, KEHONG BIO provides custom synthesis services for RefChem:329283 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.