RefChem:307185
TL;DR: RefChem:307185 (CAS 74203-57-9) is a chemical compound with molecular formula C21H25BrN2O2 and molecular weight 416.11 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] pyridine-3-carboxylate bromide
Also Known As: 6-Azabicyclo(3.2.1)octane, 6,7-dimethyl-1-(m-hydroxyphenyl)-, 3-pyridinecarboxylate (ester), hydrochloride, [3-(6,7-dimethyl-7-azoniabicyclo[3.2.1]octan-5-yl)phenyl] pyridine-3-carboxylate bromide, 6-AZABICYCLO(3.2.1)OCTANE, 6,7-DIMETHYL-1-(m-HYDROXYPHENYL)-, 3-PYRIDINECARBOXYL, 3-Pyridinecarboxylic acid, 3-(6,7-dimethyl-6-azabicyclo[3.2.1]oct-1-yl)phenyl ester, monohydrochloride, RefChem:307185
| Molecular Formula | C21H25BrN2O2 |
|---|---|
| Molecular Weight | 416.11 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.10995 |
| Heavy Atoms | 26 |
| Complexity | 496.0 |
Chemical Identifiers
| CAS Number | 74203-57-9 |
|---|---|
| SMILES | CC1C2(CCCC(C2)[NH+]1C)C3=CC(=CC=C3)OC(=O)C4=CN=CC=C4.[Br-] |
| InChIKey | TXOGMSNEULUYAF-UHFFFAOYSA-N |
Product Overview
RefChem:307185 (CAS 74203-57-9), with molecular formula C21H25BrN2O2 and molecular weight 416.11 g/mol. IUPAC: [3-(6,7-dimethyl-6-azoniabicyclo[3.2.1]octan-1-yl)phenyl] pyridine-3-carboxylate bromide.
Chemical Property Profile of RefChem:307185
Property Insights of RefChem:307185
The XLogP value of -0.6 indicates that RefChem:307185 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 43.6 Ų, RefChem:307185 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:307185 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:307185?
The CAS number of RefChem:307185 is 74203-57-9.
What is the molecular formula of RefChem:307185?
The molecular formula of RefChem:307185 is C21H25BrN2O2.
What is the molecular weight of RefChem:307185?
The molecular weight of RefChem:307185 is 416.11 g/mol.
Where can I buy RefChem:307185?
You can request a quote for RefChem:307185 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:307185?
Yes, KEHONG BIO provides custom synthesis services for RefChem:307185 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.