RefChem:307187
TL;DR: RefChem:307187 (CAS 56232-08-7) is a chemical compound with molecular formula C21H32BrNO2 and molecular weight 409.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(6,7-dimethyl-6-azoniabicyclo[3.2.1]octan-1-yl)phenyl] hexanoate bromide
Also Known As: 6-Azabicyclo(3.2.1)octane, 6,7-dimethyl-1-(m-hydroxyphenyl)-, hexanoate (ester), hydrobromide, 6,7-Dimethyl-1-(m-hydroxyphenyl)-6-azabicyclo(3.2.1)octane hexanoate (ester) hydrobromide, [3-(6,7-dimethyl-7-azoniabicyclo[3.2.1]octan-5-yl)phenyl] hexanoate bromide, Hexanoic acid, 3-(6,7-dimethyl-6-azabicyclo[3.2.1]oct-1-yl)phenyl ester, hydrobromide, RefChem:307187
| Molecular Formula | C21H32BrNO2 |
|---|---|
| Molecular Weight | 409.16 g/mol |
| LogP | 0.27 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 409.16165 |
| Heavy Atoms | 25 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 56232-08-7 |
|---|---|
| SMILES | CCCCCC(=O)OC1=CC=CC(=C1)C23CCCC(C2)[NH+](C3C)C.[Br-] |
| InChIKey | PXHSJJCXEGJUBT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:307187 (CAS 56232-08-7), with molecular formula C21H32BrNO2 and molecular weight 409.16 g/mol. IUPAC: [3-(6,7-dimethyl-6-azoniabicyclo[3.2.1]octan-1-yl)phenyl] hexanoate bromide.
Chemical Property Profile of RefChem:307187
Property Insights of RefChem:307187
The XLogP value of 0.27 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:307187. With a topological polar surface area (TPSA) of 30.7 Ų, RefChem:307187 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:307187 has 1 hydrogen bond donor(s) and 3 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:307187?
The CAS number of RefChem:307187 is 56232-08-7.
What is the molecular formula of RefChem:307187?
The molecular formula of RefChem:307187 is C21H32BrNO2.
What is the molecular weight of RefChem:307187?
The molecular weight of RefChem:307187 is 409.16 g/mol.
Where can I buy RefChem:307187?
You can request a quote for RefChem:307187 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:307187?
Yes, KEHONG BIO provides custom synthesis services for RefChem:307187 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.