![ethyl 3-benzoyl-3-azaspiro[bicyclo[3.3.1]nonane-9,2'-[1,3]dithiolane]-7-carboxylate structure](/static/products/3794/37943-63-8.webp)
ethyl 3-benzoyl-3-azaspiro[bicyclo[3.3.1]nonane-9,2'-[1,3]dithiolane]-7-carboxylate
TL;DR: ethyl 3-benzoyl-3-azaspiro[bicyclo[3.3.1]nonane-9,2'-[1,3]dithiolane]-7-carboxylate (CAS 37943-63-8) is a chemical compound with molecular formula C20H25NO3S2 and molecular weight 391.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3'-benzoylspiro[1,3-dithiolane-2,9'-3-azabicyclo[3.3.1]nonane]-7'-carboxylate
Also Known As: ethyl 3-benzoyl-3-azaspiro[bicyclo[3.3.1]nonane-9,2'-[1,3]dithiolane]-7-carboxylate, ethyl 3'-benzoylspiro[1,3-dithiolane-2,9'-3-azabicyclo[3.3.1]nonane]-7'-carboxylate
| Molecular Formula | C20H25NO3S2 |
|---|---|
| Molecular Weight | 391.13 g/mol |
| LogP | 3.5242 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 391.1276 |
| Heavy Atoms | 26 |
| Complexity | 656.8937 |
Chemical Identifiers
| CAS Number | 37943-63-8 |
|---|---|
| SMILES | CCOC(=O)C1CC2CN(CC(C1)C23SCCS3)C(=O)C4=CC=CC=C4 |
Product Overview
ethyl 3-benzoyl-3-azaspiro[bicyclo[3.3.1]nonane-9,2'-[1,3]dithiolane]-7-carboxylate (CAS 37943-63-8), with molecular formula C20H25NO3S2 and molecular weight 391.13 g/mol. IUPAC: ethyl 3'-benzoylspiro[1,3-dithiolane-2,9'-3-azabicyclo[3.3.1]nonane]-7'-carboxylate.
Chemical Property Profile of ethyl 3-benzoyl-3-azaspiro[bicyclo[3.3.1]nonane-9,2'-[1,3]dithiolane]-7-carboxylate
Property Insights of ethyl 3-benzoyl-3-azaspiro[bicyclo[3.3.1]nonane-9,2'-[1,3]dithiolane]-7-carboxylate
The XLogP value of 3.5242 indicates that ethyl 3-benzoyl-3-azaspiro[bicyclo[3.3.1]nonane-9,2'-[1,3]dithiolane]-7-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, ethyl 3-benzoyl-3-azaspiro[bicyclo[3.3.1]nonane-9,2'-[1,3]dithiolane]-7-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 3-benzoyl-3-azaspiro[bicyclo[3.3.1]nonane-9,2'-[1,3]dithiolane]-7-carboxylate has 0 hydrogen bond donor(s) and 5 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 ethyl 3-benzoyl-3-azaspiro[bicyclo[3.3.1]nonane-9,2'-[1,3]dithiolane]-7-carboxylate?
The CAS number of ethyl 3-benzoyl-3-azaspiro[bicyclo[3.3.1]nonane-9,2'-[1,3]dithiolane]-7-carboxylate is 37943-63-8.
What is the molecular formula of ethyl 3-benzoyl-3-azaspiro[bicyclo[3.3.1]nonane-9,2'-[1,3]dithiolane]-7-carboxylate?
The molecular formula of ethyl 3-benzoyl-3-azaspiro[bicyclo[3.3.1]nonane-9,2'-[1,3]dithiolane]-7-carboxylate is C20H25NO3S2.
What is the molecular weight of ethyl 3-benzoyl-3-azaspiro[bicyclo[3.3.1]nonane-9,2'-[1,3]dithiolane]-7-carboxylate?
The molecular weight of ethyl 3-benzoyl-3-azaspiro[bicyclo[3.3.1]nonane-9,2'-[1,3]dithiolane]-7-carboxylate is 391.13 g/mol.
Where can I buy ethyl 3-benzoyl-3-azaspiro[bicyclo[3.3.1]nonane-9,2'-[1,3]dithiolane]-7-carboxylate?
You can request a quote for ethyl 3-benzoyl-3-azaspiro[bicyclo[3.3.1]nonane-9,2'-[1,3]dithiolane]-7-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-benzoyl-3-azaspiro[bicyclo[3.3.1]nonane-9,2'-[1,3]dithiolane]-7-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-benzoyl-3-azaspiro[bicyclo[3.3.1]nonane-9,2'-[1,3]dithiolane]-7-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.