RefChem:1098967
TL;DR: RefChem:1098967 (CAS 15086-37-0) is a chemical compound with molecular formula C21H30ClNO3 and molecular weight 379.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azinan-1-ium]-3-yl 3-hydroxy-2-phenylpropanoate chloride
Also Known As: 3-Hydroxyspiro(8-azoniabicyclo(3.2.1)octane-8,1'-piperidinium) chloride tropate, Spiro(8-azoniabicyclo(3.2.1)octane-8,1'-piperidinium), 3-hydroxy-, chloride, tropate, Spiro(1-alpha-H,5-alpha-H-nortropane-8,1'-piperidinium), 3-alpha-hydroxy- chloride, tropate, spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azinan-1-ium]-3-yl 3-hydroxy-2-phenylpropanoate chloride, Spiro[8-azoniabicyclo[3.2.1]octane-8,1'-piperidinium], 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-, chloride
| Molecular Formula | C21H30ClNO3 |
|---|---|
| Molecular Weight | 379.19 g/mol |
| LogP | 0.0038 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 379.1914 |
| Heavy Atoms | 26 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 15086-37-0 |
|---|---|
| SMILES | C1CC[N+]2(CC1)C3CCC2CC(C3)OC(=O)C(CO)C4=CC=CC=C4.[Cl-] |
| InChIKey | MFLSGHBGUNXPSJ-UHFFFAOYSA-M |
Product Overview
RefChem:1098967 (CAS 15086-37-0), with molecular formula C21H30ClNO3 and molecular weight 379.19 g/mol. IUPAC: spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azinan-1-ium]-3-yl 3-hydroxy-2-phenylpropanoate chloride.
Chemical Property Profile of RefChem:1098967
Property Insights of RefChem:1098967
The XLogP value of 0.0038 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1098967. With a topological polar surface area (TPSA) of 46.5 Ų, RefChem:1098967 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1098967 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:1098967?
The CAS number of RefChem:1098967 is 15086-37-0.
What is the molecular formula of RefChem:1098967?
The molecular formula of RefChem:1098967 is C21H30ClNO3.
What is the molecular weight of RefChem:1098967?
The molecular weight of RefChem:1098967 is 379.19 g/mol.
Where can I buy RefChem:1098967?
You can request a quote for RefChem:1098967 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1098967?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1098967 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.