3-Carbetoxy Quinuclidine
TL;DR: 3-Carbetoxy Quinuclidine (CAS 372500-54-4) is a chemical compound with molecular formula C17H11N3O4S and molecular weight 353.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(5E)-5-(furan-2-ylmethylidene)-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl] acetate
Also Known As: 3-Carbetoxy Quinuclidine, Ethyl quinuclidine-3-carboxylate, 2-[(5E)-5-(2-furylmethylene)-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl acetate, [2-[(5E)-5-(furan-2-ylmethylidene)-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl] acetate, 2-[5-(2-furylmethylene)-6-oxo-1,3-thiazolidino[3,2-d]1,2,4-triazol-2-yl]phenyl acetate
| Molecular Formula | C17H11N3O4S |
|---|---|
| Molecular Weight | 353.05 g/mol |
| LogP | 1.884 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 353.04703 |
| Heavy Atoms | 25 |
| Complexity | 1174.647 |
Chemical Identifiers
| CAS Number | 372500-54-4 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC=C1C2=NN3C(=O)/C(=C\C4=CC=CO4)/SC3=N2 |
Product Overview
3-Carbetoxy Quinuclidine (CAS 372500-54-4), with molecular formula C17H11N3O4S and molecular weight 353.05 g/mol. IUPAC: [2-[(5E)-5-(furan-2-ylmethylidene)-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl] acetate.
Chemical Property Profile of 3-Carbetoxy Quinuclidine
Property Insights of 3-Carbetoxy Quinuclidine
The XLogP value of 1.884 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Carbetoxy Quinuclidine. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Carbetoxy Quinuclidine. Following Lipinski's Rule of Five, 3-Carbetoxy Quinuclidine has 0 hydrogen bond donor(s) and 7 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 3-Carbetoxy Quinuclidine?
The CAS number of 3-Carbetoxy Quinuclidine is 372500-54-4.
What is the molecular formula of 3-Carbetoxy Quinuclidine?
The molecular formula of 3-Carbetoxy Quinuclidine is C17H11N3O4S.
What is the molecular weight of 3-Carbetoxy Quinuclidine?
The molecular weight of 3-Carbetoxy Quinuclidine is 353.05 g/mol.
Where can I buy 3-Carbetoxy Quinuclidine?
You can request a quote for 3-Carbetoxy Quinuclidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Carbetoxy Quinuclidine?
Yes, KEHONG BIO provides custom synthesis services for 3-Carbetoxy Quinuclidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.