![2-{8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-4-yloxy}-5-(pyrrolidine-1-sulfonyl)pyridine structure](/static/products/852/852899-83-3.png)
2-{8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-4-yloxy}-5-(pyrrolidine-1-sulfonyl)pyridine
TL;DR: 2-{8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-4-yloxy}-5-(pyrrolidine-1-sulfonyl)pyridine (CAS 852899-83-3) is a chemical compound with molecular formula C21H22N2O4S and molecular weight 398.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-pyrrolidin-1-ylsulfonyl-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)pyridine
Also Known As: 2-{8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-4-yloxy}-5-(pyrrolidine-1-sulfonyl)pyridine, 5-pyrrolidin-1-ylsulfonyl-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)pyridine, 5-(pyrrolidinylsulfonyl)-2-(1,2,3,4-tetrahydrobenzo[3,4-d]benzo[2,1-b]furan-8- yloxy)pyridine
| Molecular Formula | C21H22N2O4S |
|---|---|
| Molecular Weight | 398.13 g/mol |
| LogP | 4.2834 |
| Topological Polar Surface Area | 72.64 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.13004 |
| Heavy Atoms | 28 |
| Complexity | 1113.2632 |
Chemical Identifiers
| CAS Number | 852899-83-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(O2)C=CC(=C3)OC4=NC=C(C=C4)S(=O)(=O)N5CCCC5 |
Product Overview
2-{8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-4-yloxy}-5-(pyrrolidine-1-sulfonyl)pyridine (CAS 852899-83-3), with molecular formula C21H22N2O4S and molecular weight 398.13 g/mol. IUPAC: 5-pyrrolidin-1-ylsulfonyl-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)pyridine.
Chemical Property Profile of 2-{8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-4-yloxy}-5-(pyrrolidine-1-sulfonyl)pyridine
Property Insights of 2-{8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-4-yloxy}-5-(pyrrolidine-1-sulfonyl)pyridine
The XLogP value of 4.2834 indicates that 2-{8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-4-yloxy}-5-(pyrrolidine-1-sulfonyl)pyridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-4-yloxy}-5-(pyrrolidine-1-sulfonyl)pyridine. Following Lipinski's Rule of Five, 2-{8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-4-yloxy}-5-(pyrrolidine-1-sulfonyl)pyridine 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 2-{8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-4-yloxy}-5-(pyrrolidine-1-sulfonyl)pyridine?
The CAS number of 2-{8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-4-yloxy}-5-(pyrrolidine-1-sulfonyl)pyridine is 852899-83-3.
What is the molecular formula of 2-{8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-4-yloxy}-5-(pyrrolidine-1-sulfonyl)pyridine?
The molecular formula of 2-{8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-4-yloxy}-5-(pyrrolidine-1-sulfonyl)pyridine is C21H22N2O4S.
What is the molecular weight of 2-{8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-4-yloxy}-5-(pyrrolidine-1-sulfonyl)pyridine?
The molecular weight of 2-{8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-4-yloxy}-5-(pyrrolidine-1-sulfonyl)pyridine is 398.13 g/mol.
Where can I buy 2-{8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-4-yloxy}-5-(pyrrolidine-1-sulfonyl)pyridine?
You can request a quote for 2-{8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-4-yloxy}-5-(pyrrolidine-1-sulfonyl)pyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-4-yloxy}-5-(pyrrolidine-1-sulfonyl)pyridine?
Yes, KEHONG BIO provides custom synthesis services for 2-{8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-4-yloxy}-5-(pyrrolidine-1-sulfonyl)pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.