RefChem:307181
TL;DR: RefChem:307181 (CAS 56232-03-2) is a chemical compound with molecular formula C22H28ClNO and molecular weight 357.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[7-methyl-6-(2-phenylethyl)-6-azoniabicyclo[3.2.1]octan-1-yl]phenol chloride
Also Known As: 6-Azabicyclo(3.2.1)octane, 1-(m-hydroxyphenyl)-7-methyl-6-phenethyl-, hydrochloride, 1-(m-Hydroxyphenyl)-7-methyl-6-phenethyl-6-azabicyclo(3.2.1)octane hydrochloride, 3-(6-methyl-7-phenethyl-7-azoniabicyclo[3.2.1]octan-5-yl)phenol chloride, Phenol, 3-[7-methyl-6-(2-phenylethyl)-6-azabicyclo[3.2.1]oct-1-yl]-, hydrochloride, RefChem:307181
| Molecular Formula | C22H28ClNO |
|---|---|
| Molecular Weight | 357.19 g/mol |
| LogP | 0.11 |
| Topological Polar Surface Area | 24.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 357.18594 |
| Heavy Atoms | 25 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 56232-03-2 |
|---|---|
| SMILES | CC1C2(CCCC(C2)[NH+]1CCC3=CC=CC=C3)C4=CC(=CC=C4)O.[Cl-] |
| InChIKey | PHYDZJQYBIKZQI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:307181 (CAS 56232-03-2), with molecular formula C22H28ClNO and molecular weight 357.19 g/mol. IUPAC: 3-[7-methyl-6-(2-phenylethyl)-6-azoniabicyclo[3.2.1]octan-1-yl]phenol chloride.
Chemical Property Profile of RefChem:307181
Property Insights of RefChem:307181
The XLogP value of 0.11 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:307181. With a topological polar surface area (TPSA) of 24.7 Ų, RefChem:307181 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:307181 has 2 hydrogen bond donor(s) and 2 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:307181?
The CAS number of RefChem:307181 is 56232-03-2.
What is the molecular formula of RefChem:307181?
The molecular formula of RefChem:307181 is C22H28ClNO.
What is the molecular weight of RefChem:307181?
The molecular weight of RefChem:307181 is 357.19 g/mol.
Where can I buy RefChem:307181?
You can request a quote for RefChem:307181 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:307181?
Yes, KEHONG BIO provides custom synthesis services for RefChem:307181 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.