N-864
TL;DR: N-864 (CAS 78371-77-4) is a chemical compound with molecular formula C31H34BrNO3 and molecular weight 547.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[8-[(4-ethylphenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 9H-xanthene-9-carboxylate bromide
Also Known As: N-864, 8-(p-Ethylbenzyl)tropinium bromide xanthene-9-carboxylate, Tropinium, 8-(p-ethylbenzyl)-, bromide, xanthene-9-carboxylate, 1-alpha-H,5-alpha-H-Tropanium, 8-(p-ethylbenzyl)-3-hydroxy-, bromide, xanthene-9-carboxylate(ester), [8-[(4-ethylphenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 9H-xanthene-9-carboxylate bromide
| Molecular Formula | C31H34BrNO3 |
|---|---|
| Molecular Weight | 547.17 g/mol |
| LogP | 3.374 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 547.1722 |
| Heavy Atoms | 36 |
| Complexity | 1181.0779 |
Chemical Identifiers
| CAS Number | 78371-77-4 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C[N+]2(C3CCC2CC(C3)OC(=O)C4C5=CC=CC=C5OC6=CC=CC=C46)C.[Br-] |
Product Overview
N-864 (CAS 78371-77-4), with molecular formula C31H34BrNO3 and molecular weight 547.17 g/mol. IUPAC: [8-[(4-ethylphenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 9H-xanthene-9-carboxylate bromide.
Chemical Property Profile of N-864
Property Insights of N-864
The XLogP value of 3.374 indicates that N-864 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, N-864 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-864 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-864?
The CAS number of N-864 is 78371-77-4.
What is the molecular formula of N-864?
The molecular formula of N-864 is C31H34BrNO3.
What is the molecular weight of N-864?
The molecular weight of N-864 is 547.17 g/mol.
Where can I buy N-864?
You can request a quote for N-864 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-864?
Yes, KEHONG BIO provides custom synthesis services for N-864 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.