Sesbanine
TL;DR: Sesbanine (CAS 70521-94-7) is a chemical compound with molecular formula C12H12N2O3 and molecular weight 232.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3'-hydroxyspiro[2,7-naphthyridine-4,1'-cyclopentane]-1,3-dione
Also Known As: Sesbanine, (+)-Sesbanine, SESBANINE (+), 3'-hydroxyspiro[2,7-naphthyridine-4,1'-cyclopentane]-1,3-dione, Spiro(cyclopentane-1,4'(1'H)-(2,7)naphthyridine)-1',3'(2'H)-dione, 3-hydroxy-, trans-(+)-
| Molecular Formula | C12H12N2O3 |
|---|---|
| Molecular Weight | 232.08 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 79.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 232.0848 |
| Heavy Atoms | 17 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 70521-94-7 |
|---|---|
| SMILES | C1CC2(CC1O)C3=C(C=NC=C3)C(=O)NC2=O |
| InChIKey | UETOAKFPMASNTK-UHFFFAOYSA-N |
Product Overview
Sesbanine (CAS 70521-94-7), with molecular formula C12H12N2O3 and molecular weight 232.08 g/mol. IUPAC: 3'-hydroxyspiro[2,7-naphthyridine-4,1'-cyclopentane]-1,3-dione.
Chemical Property Profile of Sesbanine
Property Insights of Sesbanine
The XLogP value of -0.3 indicates that Sesbanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 79.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Sesbanine. Following Lipinski's Rule of Five, Sesbanine has 2 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 Sesbanine?
The CAS number of Sesbanine is 70521-94-7.
What is the molecular formula of Sesbanine?
The molecular formula of Sesbanine is C12H12N2O3.
What is the molecular weight of Sesbanine?
The molecular weight of Sesbanine is 232.08 g/mol.
Where can I buy Sesbanine?
You can request a quote for Sesbanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sesbanine?
Yes, KEHONG BIO provides custom synthesis services for Sesbanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.