RefChem:307186
TL;DR: RefChem:307186 (CAS 56232-09-8) is a chemical compound with molecular formula C22H26ClNO2 and molecular weight 371.17 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-2-yl)phenyl] benzoate chloride
Also Known As: 6-Azabicyclo(3.2.1)octane, 6,7-dimethyl-1-(m-hydroxyphenyl)-, benzoate (ester), hydrochloride, 6,7-Dimethyl-1-(m-hydroxyphenyl)-6-azabicyclo(3.2.1)octane benzoate (ester) hydrochloride, [3-(6,7-dimethyl-7-azoniabicyclo[3.2.1]octan-4-yl)phenyl] benzoate chloride, Phenol, 3-(6,7-dimethyl-6-azabicyclo[3.2.1]oct-1-yl)-, benzoate (ester), hydrochloride, RefChem:307186
| Molecular Formula | C22H26ClNO2 |
|---|---|
| Molecular Weight | 371.17 g/mol |
| LogP | 0.08 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 371.1652 |
| Heavy Atoms | 26 |
| Complexity | 473.0 |
Chemical Identifiers
| CAS Number | 56232-09-8 |
|---|---|
| SMILES | CC1C2CC([NH+]1C)CCC2C3=CC(=CC=C3)OC(=O)C4=CC=CC=C4.[Cl-] |
| InChIKey | FLTCJLKJXCMDSO-UHFFFAOYSA-N |
Product Overview
RefChem:307186 (CAS 56232-09-8), with molecular formula C22H26ClNO2 and molecular weight 371.17 g/mol. IUPAC: [3-(6,7-dimethyl-6-azoniabicyclo[3.2.1]octan-2-yl)phenyl] benzoate chloride.
Chemical Property Profile of RefChem:307186
Property Insights of RefChem:307186
The XLogP value of 0.08 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:307186. With a topological polar surface area (TPSA) of 30.7 Ų, RefChem:307186 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:307186 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:307186?
The CAS number of RefChem:307186 is 56232-09-8.
What is the molecular formula of RefChem:307186?
The molecular formula of RefChem:307186 is C22H26ClNO2.
What is the molecular weight of RefChem:307186?
The molecular weight of RefChem:307186 is 371.17 g/mol.
Where can I buy RefChem:307186?
You can request a quote for RefChem:307186 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:307186?
Yes, KEHONG BIO provides custom synthesis services for RefChem:307186 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.