Deoxysesbanine
TL;DR: Deoxysesbanine (CAS 74569-91-8) is a chemical compound with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
spiro[2,7-naphthyridine-4,1'-cyclopentane]-1,3-dione
Also Known As: DEOXYSESBANINE, spiro[2,7-naphthyridine-4,1'-cyclopentane]-1,3-dione, 1'H-Spiro[cyclopentane-1,4'-[2,7]naphthyridine]-1',3'(2'H)-dione
| Molecular Formula | C12H12N2O2 |
|---|---|
| Molecular Weight | 216.09 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 59.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 216.08987 |
| Heavy Atoms | 16 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 74569-91-8 |
|---|---|
| SMILES | C1CCC2(C1)C3=C(C=NC=C3)C(=O)NC2=O |
| InChIKey | QRSNXSBLCFHZGG-UHFFFAOYSA-N |
Product Overview
Deoxysesbanine (CAS 74569-91-8), with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol. IUPAC: spiro[2,7-naphthyridine-4,1'-cyclopentane]-1,3-dione.
Chemical Property Profile of Deoxysesbanine
Property Insights of Deoxysesbanine
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Deoxysesbanine. With a topological polar surface area (TPSA) of 59.1 Ų, Deoxysesbanine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Deoxysesbanine has 1 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 Deoxysesbanine?
The CAS number of Deoxysesbanine is 74569-91-8.
What is the molecular formula of Deoxysesbanine?
The molecular formula of Deoxysesbanine is C12H12N2O2.
What is the molecular weight of Deoxysesbanine?
The molecular weight of Deoxysesbanine is 216.09 g/mol.
Where can I buy Deoxysesbanine?
You can request a quote for Deoxysesbanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deoxysesbanine?
Yes, KEHONG BIO provides custom synthesis services for Deoxysesbanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.