RefChem:1079787
TL;DR: RefChem:1079787 (CAS 69725-27-5) is a chemical compound with molecular formula C17H25Cl2N and molecular weight 313.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S)-3-(4-chlorophenyl)-2-bicyclo[2.2.2]octanyl]methyl-dimethylazanium chloride
Also Known As: cis-2-(p-Chlorophenyl)-3-dimethylaminomethylbicyclo(2.2.2)octane, hydrochloride, Bicyclo(2.2.2)octane-2-methylamine, 3-(p-chlorophenyl)-N,N-dimethyl-, hydrochloride, (Z)-, [(7R,8S)-8-(4-Chlorophenyl)-7-bicyclo[2.2.2]octanyl]methyl-dimethylazaniumchloride, [(2R,3S)-3-(4-chlorophenyl)-2-bicyclo[2.2.2]octanyl]methyl-dimethylazanium chloride, BICYCLO(2.2.2)OCTANE-2-METHYLAMINE, 3-(p-CHLOROPHENYL)-N,N-DIMETHYL-, HYDROCHLOR
| Molecular Formula | C17H25Cl2N |
|---|---|
| Molecular Weight | 313.14 g/mol |
| LogP | 0.01 |
| Topological Polar Surface Area | 4.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.1364 |
| Heavy Atoms | 20 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 69725-27-5 |
|---|---|
| SMILES | C[NH+](C)C[C@H]1[C@H](C2CCC1CC2)C3=CC=C(C=C3)Cl.[Cl-] |
| InChIKey | XSVWOQCHFVBDNK-IIXQMZGWSA-N |
Product Overview
RefChem:1079787 (CAS 69725-27-5), with molecular formula C17H25Cl2N and molecular weight 313.14 g/mol. IUPAC: [(2R,3S)-3-(4-chlorophenyl)-2-bicyclo[2.2.2]octanyl]methyl-dimethylazanium chloride.
Chemical Property Profile of RefChem:1079787
Property Insights of RefChem:1079787
The XLogP value of 0.01 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1079787. With a topological polar surface area (TPSA) of 4.4 Ų, RefChem:1079787 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1079787 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:1079787?
The CAS number of RefChem:1079787 is 69725-27-5.
What is the molecular formula of RefChem:1079787?
The molecular formula of RefChem:1079787 is C17H25Cl2N.
What is the molecular weight of RefChem:1079787?
The molecular weight of RefChem:1079787 is 313.14 g/mol.
Where can I buy RefChem:1079787?
You can request a quote for RefChem:1079787 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1079787?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1079787 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.