GELSEDINE
TL;DR: GELSEDINE (CAS 7096-96-0) is a chemical compound with molecular formula C19H24N2O3 and molecular weight 328.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,4R,6S,7S,8R)-6-ethyl-1'-methoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undecane-2,3'-indole]-2'-one
Also Known As: GELSEDINE, (Spiro(3H-indole-3,7'(6'H)-(3,) (6)methano(1H)oxepino(4,3-b)pyrrol)-2(1H)-one,) 2'-ethyl-2',3',3'a, 4',8',8'a-hexahydro-1-methoxy-
| Molecular Formula | C19H24N2O3 |
|---|---|
| Molecular Weight | 328.18 g/mol |
| LogP | 2.0078 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 328.17868 |
| Heavy Atoms | 24 |
| Complexity | 692.9444 |
Chemical Identifiers
| CAS Number | 7096-96-0 |
|---|---|
| SMILES | CC[C@H]1[C@H]2C[C@H]3[C@]4(C[C@H]([C@@H]2CO3)N1)C5=CC=CC=C5N(C4=O)OC |
Product Overview
GELSEDINE (CAS 7096-96-0), with molecular formula C19H24N2O3 and molecular weight 328.18 g/mol. IUPAC: (1S,2S,4R,6S,7S,8R)-6-ethyl-1'-methoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undecane-2,3'-indole]-2'-one.
Chemical Property Profile of GELSEDINE
Property Insights of GELSEDINE
The XLogP value of 2.0078 suggests moderate lipophilicity, balancing water solubility and membrane permeability for GELSEDINE. With a topological polar surface area (TPSA) of 50.8 Ų, GELSEDINE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, GELSEDINE has 1 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 GELSEDINE?
The CAS number of GELSEDINE is 7096-96-0.
What is the molecular formula of GELSEDINE?
The molecular formula of GELSEDINE is C19H24N2O3.
What is the molecular weight of GELSEDINE?
The molecular weight of GELSEDINE is 328.18 g/mol.
Where can I buy GELSEDINE?
You can request a quote for GELSEDINE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for GELSEDINE?
Yes, KEHONG BIO provides custom synthesis services for GELSEDINE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.