C28H36NO2.Br
TL;DR: C28H36NO2.Br (CAS 1107-17-1) is a chemical compound with molecular formula C28H36BrNO2 and molecular weight 497.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,5R)-8-[(4-cyclohexylphenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] benzoate bromide
Also Known As: KST-1A0579, N 718, N718, 8-(p-Cyclohexylbenzyl)-8-methylnortropinium bromide benzoate, 8-Azoniabicyclo(3.2.1)octane, 3-(benzoyloxy)-8-((4-cyclohexylphenyl)methyl)-8-methyl-, bromide, (endo,syn)-
| Molecular Formula | C28H36BrNO2 |
|---|---|
| Molecular Weight | 497.19 g/mol |
| LogP | 3.24 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 497.19293 |
| Heavy Atoms | 32 |
| Complexity | 584.0 |
Chemical Identifiers
| CAS Number | 1107-17-1 |
|---|---|
| SMILES | C[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)C3=CC=CC=C3)CC4=CC=C(C=C4)C5CCCCC5.[Br-] |
| InChIKey | RYNQLQQWYHVSMQ-YGEXVHLJSA-M |
Product Overview
C28H36NO2.Br (CAS 1107-17-1), with molecular formula C28H36BrNO2 and molecular weight 497.19 g/mol. IUPAC: [(1S,5R)-8-[(4-cyclohexylphenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] benzoate bromide.
Chemical Property Profile of C28H36NO2.Br
Property Insights of C28H36NO2.Br
The XLogP value of 3.24 indicates that C28H36NO2.Br is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, C28H36NO2.Br exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C28H36NO2.Br has 0 hydrogen bond donor(s) and 3 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 C28H36NO2.Br?
The CAS number of C28H36NO2.Br is 1107-17-1.
What is the molecular formula of C28H36NO2.Br?
The molecular formula of C28H36NO2.Br is C28H36BrNO2.
What is the molecular weight of C28H36NO2.Br?
The molecular weight of C28H36NO2.Br is 497.19 g/mol.
Where can I buy C28H36NO2.Br?
You can request a quote for C28H36NO2.Br directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C28H36NO2.Br?
Yes, KEHONG BIO provides custom synthesis services for C28H36NO2.Br and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.