N-830
TL;DR: N-830 (CAS 3564-48-5) 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-ethyl-8-azoniabicyclo[3.2.1]octan-3-yl] benzoate bromide
Also Known As: N 830, N-830, 8-(p-Cyclohexylbenzyl)-8-ethylnortropinium bromide benzoate, 8-Azoniabicyclo(3.2.1)heptane, 3-(benzoyloxy)-8-((4-cyclohexylphenyl)methyl)-8-ethyl-, bromide, endo-, 8-(p-Cyclohexylbenzyl)-8-ethylnortropinium bromide benzoate (7CI)
| Molecular Formula | C29H38BrNO2 |
|---|---|
| Molecular Weight | 511.21 g/mol |
| LogP | 3.6254 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 511.2086 |
| Heavy Atoms | 33 |
| Complexity | 599.0 |
Chemical Identifiers
| CAS Number | 3564-48-5 |
|---|---|
| SMILES | CC[N+]1(C2CCC1CC(C2)OC(=O)C3=CC=CC=C3)CC4=CC=C(C=C4)C5CCCCC5.[Br-] |
| InChIKey | SBDYZGZFLBAYGI-UHFFFAOYSA-M |
Product Overview
N-830 (CAS 3564-48-5), with molecular formula C29H38BrNO2 and molecular weight 511.21 g/mol. IUPAC: [8-[(4-cyclohexylphenyl)methyl]-8-ethyl-8-azoniabicyclo[3.2.1]octan-3-yl] benzoate bromide.
Chemical Property Profile of N-830
Property Insights of N-830
The XLogP value of 3.6254 indicates that N-830 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-830 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-830 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-830?
The CAS number of N-830 is 3564-48-5.
What is the molecular formula of N-830?
The molecular formula of N-830 is C29H38BrNO2.
What is the molecular weight of N-830?
The molecular weight of N-830 is 511.21 g/mol.
Where can I buy N-830?
You can request a quote for N-830 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-830?
Yes, KEHONG BIO provides custom synthesis services for N-830 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.