RefChem:276785
TL;DR: RefChem:276785 (CAS 52904-48-0) is a chemical compound with molecular formula C17H23NO3 and molecular weight 289.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 9-methoxy-9-phenyl-3-azabicyclo[3.3.1]nonane-3-carboxylate
Also Known As: 5-21-03-00137 (Beilstein Handbook Reference), 1-Methoxycarbonyl-4-beta-methoxy-4-alpha-phenyl-3-alpha,5-alpha-propanopiperidine, syn-9-Methoxy-9-phenyl-3-azabicyclo(3.3.1)nonane-3-carboxylic acid methyl ester, 3-Azabicyclo(3.3.1)nonane-3-carboxylic acid, 9-methoxy-9-phenyl-, methyl ester, syn-, methyl 9-methoxy-9-phenyl-3-azabicyclo[3.3.1]nonane-3-carboxylate
| Molecular Formula | C17H23NO3 |
|---|---|
| Molecular Weight | 289.17 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.1678 |
| Heavy Atoms | 21 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 52904-48-0 |
|---|---|
| SMILES | COC(=O)N1CC2CCCC(C1)C2(C3=CC=CC=C3)OC |
| InChIKey | FOQUCUPDYPHYSL-UHFFFAOYSA-N |
Product Overview
RefChem:276785 (CAS 52904-48-0), with molecular formula C17H23NO3 and molecular weight 289.17 g/mol. IUPAC: methyl 9-methoxy-9-phenyl-3-azabicyclo[3.3.1]nonane-3-carboxylate.
Chemical Property Profile of RefChem:276785
Property Insights of RefChem:276785
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:276785. With a topological polar surface area (TPSA) of 38.8 Ų, RefChem:276785 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:276785 has 0 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:276785?
The CAS number of RefChem:276785 is 52904-48-0.
What is the molecular formula of RefChem:276785?
The molecular formula of RefChem:276785 is C17H23NO3.
What is the molecular weight of RefChem:276785?
The molecular weight of RefChem:276785 is 289.17 g/mol.
Where can I buy RefChem:276785?
You can request a quote for RefChem:276785 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:276785?
Yes, KEHONG BIO provides custom synthesis services for RefChem:276785 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.