RefChem:329284
TL;DR: RefChem:329284 (CAS 62374-13-4) is a chemical compound with molecular formula C17H22Cl2F3N and molecular weight 367.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S)-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-bicyclo[2.2.2]octanyl]methyl-methylazanium chloride
Also Known As: cis-2-(4-Chloro-3-trifluorophenyl)-3-methylaminomethylbicyclo(2.2.2)octane hydrochloride, Bicyclo(2.2.2)octane-2-methylamine, 3-(4-chloro-3-trifluoromethylphenyl)-N-methyl-, hydrochloride, (Z)-, [(7R,8S)-8-[4-Chloro-3-(trifluoromethyl)phenyl]-7-bicyclo[2.2.2]octanyl]methyl-methylazanium chloride, BICYCLO(2.2.2)OCTANE-2-METHYLAMINE, 3-(4-CHLORO-3-TRIFLUOROMETHYLPHENYL)-N-METHY, [(2R,3S)-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-bicyclo[2.2.2]octanyl]methyl-methylazanium chloride
| Molecular Formula | C17H22Cl2F3N |
|---|---|
| Molecular Weight | 367.11 g/mol |
| LogP | 1.08 |
| Topological Polar Surface Area | 16.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 367.10815 |
| Heavy Atoms | 23 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 62374-13-4 |
|---|---|
| SMILES | C[NH2+]C[C@H]1[C@H](C2CCC1CC2)C3=CC(=C(C=C3)Cl)C(F)(F)F.[Cl-] |
| InChIKey | WKHAKLNSYICTQD-QYTBXVMCSA-N |
Product Overview
RefChem:329284 (CAS 62374-13-4), with molecular formula C17H22Cl2F3N and molecular weight 367.11 g/mol. IUPAC: [(2R,3S)-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-bicyclo[2.2.2]octanyl]methyl-methylazanium chloride.
Chemical Property Profile of RefChem:329284
Property Insights of RefChem:329284
The XLogP value of 1.08 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:329284. With a topological polar surface area (TPSA) of 16.6 Ų, RefChem:329284 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:329284 has 1 hydrogen bond donor(s) and 4 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:329284?
The CAS number of RefChem:329284 is 62374-13-4.
What is the molecular formula of RefChem:329284?
The molecular formula of RefChem:329284 is C17H22Cl2F3N.
What is the molecular weight of RefChem:329284?
The molecular weight of RefChem:329284 is 367.11 g/mol.
Where can I buy RefChem:329284?
You can request a quote for RefChem:329284 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:329284?
Yes, KEHONG BIO provides custom synthesis services for RefChem:329284 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.