RefChem:312957
TL;DR: RefChem:312957 (CAS 102585-84-2) is a chemical compound with molecular formula C23H29ClFNOS and molecular weight 421.16425 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-[3-(4-fluorophenyl)sulfanylpropyl]-3-phenoxy-9-azoniabicyclo[3.3.1]nonane chloride
Also Known As: 9-Azabicyclo(3.3.1)nonan-3-ol, 9-(3-(p-fluorophenylthio)propyl)-3-phenyl-, hydrochloride, 9-(3-p-Fluorothiophenylpropyl)-3-phenyl-3-granatanol hydrochloride, 9-(3-(p-Fluorophenylthio)propyl)-3-phenyl-9-azabicyclo(3.3.1)nonan-3-ol hydrochloride, 9-[3-(4-fluorophenyl)sulfanylpropyl]-3-phenoxy-9-azoniabicyclo[3.3.1]nonane chloride, 9-{3-[(4-fluorophenyl)sulfanyl]propyl}-3-phenoxy-9-azoniabicyclo[3.3.1]nonane chloride
Technical Specifications
| Molecular Formula | C23H29ClFNOS |
| Molecular Weight | 421.16425 g/mol |
| XLogP | 1.36 |
| Topological Polar Surface Area (TPSA) | 39.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 421.16425 Da |
| Heavy Atoms | 28 |
| Complexity | 422.0 |
| SMILES | C1CC2CC(CC(C1)[NH+]2CCCSC3=CC=C(C=C3)F)OC4=CC=CC=C4.[Cl-] |
| InChIKey | ZCTRYSJRFNJTEG-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:312957
Property Insights of RefChem:312957
The XLogP value of 1.36 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:312957. With a topological polar surface area (TPSA) of 39.0 Ų, RefChem:312957 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:312957 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
What is the CAS number of RefChem:312957?
The CAS number of RefChem:312957 is 102585-84-2.
What is the molecular formula of RefChem:312957?
The molecular formula of RefChem:312957 is C23H29ClFNOS.
What is the molecular weight of RefChem:312957?
The molecular weight of RefChem:312957 is 421.16425 g/mol.
Where can I buy RefChem:312957?
You can request a quote for RefChem:312957 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:312957?
Yes, CoreyChem provides custom synthesis services for RefChem:312957 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.