RefChem:307189
TL;DR: RefChem:307189 (CAS 56232-07-6) is a chemical compound with molecular formula C18H26BrNO2 and molecular weight 367.11 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] propanoate bromide
Also Known As: 6,7-Dimethyl-1-(m-hydroxyphenyl)-6-azabicyclo(3.2.1)octane propionate (ester) hydrobromide, 6-Azabicyclo(3.2.1)octane, 6,7-dimethyl-1-(m-hydroxyphenyl)-, propionate (ester), hydrobromide, [3-(6,7-dimethyl-7-azoniabicyclo[3.2.1]octan-5-yl)phenyl] propanoate bromide, 6-AZABICYCLO(3.2.1)OCTANE, 6,7-DIMETHYL-1-(m-HYDROXYPHENYL)-, PROPIONATE (ester), Phenol, 3-(6,7-dimethyl-6-azabicyclo[3.2.1]oct-1-yl)-, propanoate (ester), hydrobromide
| Molecular Formula | C18H26BrNO2 |
|---|---|
| Molecular Weight | 367.11 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 367.1147 |
| Heavy Atoms | 22 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 56232-07-6 |
|---|---|
| SMILES | CCC(=O)OC1=CC=CC(=C1)C23CCCC(C2)[NH+](C3C)C.[Br-] |
| InChIKey | SLWSTEIASSHQNX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:307189 (CAS 56232-07-6), with molecular formula C18H26BrNO2 and molecular weight 367.11 g/mol. IUPAC: [3-(6,7-dimethyl-6-azoniabicyclo[3.2.1]octan-1-yl)phenyl] propanoate bromide.
Chemical Property Profile of RefChem:307189
Property Insights of RefChem:307189
The XLogP value of -0.9 indicates that RefChem:307189 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.7 Ų, RefChem:307189 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:307189 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:307189?
The CAS number of RefChem:307189 is 56232-07-6.
What is the molecular formula of RefChem:307189?
The molecular formula of RefChem:307189 is C18H26BrNO2.
What is the molecular weight of RefChem:307189?
The molecular weight of RefChem:307189 is 367.11 g/mol.
Where can I buy RefChem:307189?
You can request a quote for RefChem:307189 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:307189?
Yes, KEHONG BIO provides custom synthesis services for RefChem:307189 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.