Gapona
TL;DR: Gapona (CAS 77416-70-7) is a chemical compound with molecular formula C42H57BrN2O4 and molecular weight 732.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Gapona
3-(1-benzylcycloheptyl)oxy-N,N-dimethylpropan-1-amine;(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 9H-xanthene-9-carboxylate;bromide
Also Known As: Gapona, 3-(1-benzylcycloheptyl)oxy-N,N-dimethylpropan-1-amine;(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 9H-xanthene-9-carboxylate;bromide, 8-Azoniabicyclo(3.2.1)octane, 8,8-dimethyl-3-((9H-xanthen-9-ylcarbonyl)oxy)-, bromide, endo-, mixt. with N,N-dimethyl-3-((1-(phenylmethyl)cycloheptyl)oxy)-1-propanamine, 3-(1-benzylcycloheptyl)oxy-N,N-dimethylpropan-1-amine; (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 9H-xanthene-9-carboxylate; bromide, 8,8-Dimethyl-3-[(9H-xanthene-9-carbonyl)oxy]-8-azabicyclo[3.2.1]octan-8-ium bromide--3-[(1-benzylcycloheptyl)oxy]-N,N-dimethylpropan-1-amine (1/1/1)
| Molecular Formula | C42H57BrN2O4 |
|---|---|
| Molecular Weight | 732.35 g/mol |
| LogP | 5.5316 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 732.35016 |
| Heavy Atoms | 49 |
| Complexity | 801.0 |
Chemical Identifiers
| CAS Number | 77416-70-7 |
|---|---|
| SMILES | CN(C)CCCOC1(CCCCCC1)CC2=CC=CC=C2.C[N+]1(C2CCC1CC(C2)OC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)C.[Br-] |
| InChIKey | ILCGVXSFEKMTCJ-UHFFFAOYSA-M |
Product Overview
Gapona (CAS 77416-70-7), with molecular formula C42H57BrN2O4 and molecular weight 732.35 g/mol. IUPAC: 3-(1-benzylcycloheptyl)oxy-N,N-dimethylpropan-1-amine;(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 9H-xanthene-9-carboxylate;bromide.
Chemical Property Profile of Gapona
Property Insights of Gapona
The XLogP value of 5.5316 indicates that Gapona is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.0 Ų, Gapona exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Gapona has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Gapona?
The CAS number of Gapona is 77416-70-7.
What is the molecular formula of Gapona?
The molecular formula of Gapona is C42H57BrN2O4.
What is the molecular weight of Gapona?
The molecular weight of Gapona is 732.35 g/mol.
Where can I buy Gapona?
You can request a quote for Gapona directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gapona?
Yes, KEHONG BIO provides custom synthesis services for Gapona and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.