N-856
TL;DR: N-856 (CAS 3564-36-1) is a chemical compound with molecular formula C29H38BrNO2 and molecular weight 511.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[8-[(4-cyclohexylphenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 4-methylbenzoate bromide
Also Known As: N 856, N-856, 8-(p-Cyclohexylbenzyl)tropinium bromide p-toluate, 8-Azoniabicyclo(3.2.1)heptane, 8-((4-cyclohexylphenyl)methyl)-8-methyl-3-((4-methylbenzoyl)oxy)-, bromide, endo-, 8-(p-Cyclohexylbenzyl)tropinium bromide p-toluate (7CI)
| Molecular Formula | C29H38BrNO2 |
|---|---|
| Molecular Weight | 511.21 g/mol |
| LogP | 3.54372 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 511.2086 |
| Heavy Atoms | 33 |
| Complexity | 611.0 |
Chemical Identifiers
| CAS Number | 3564-36-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OC2CC3CCC(C2)[N+]3(C)CC4=CC=C(C=C4)C5CCCCC5.[Br-] |
| InChIKey | UDILGEFLTJXRJE-UHFFFAOYSA-M |
Product Overview
N-856 (CAS 3564-36-1), with molecular formula C29H38BrNO2 and molecular weight 511.21 g/mol. IUPAC: [8-[(4-cyclohexylphenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 4-methylbenzoate bromide.
Chemical Property Profile of N-856
Property Insights of N-856
The XLogP value of 3.54372 indicates that N-856 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, N-856 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-856 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-856?
The CAS number of N-856 is 3564-36-1.
What is the molecular formula of N-856?
The molecular formula of N-856 is C29H38BrNO2.
What is the molecular weight of N-856?
The molecular weight of N-856 is 511.21 g/mol.
Where can I buy N-856?
You can request a quote for N-856 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-856?
Yes, KEHONG BIO provides custom synthesis services for N-856 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.