4-Biphenylmethyl-(tropyl-alpha-tropinium)
TL;DR: 4-Biphenylmethyl-(tropyl-alpha-tropinium) (CAS 38971-12-9) is a chemical compound with molecular formula C30H34NO3+ and molecular weight 456.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[8-methyl-8-[(4-phenylphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate
Also Known As: Xenytropium, 4-Biphenylmethyl-(tropyl-alpha-tropinium), [8-methyl-8-[(4-phenylphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate
| Molecular Formula | C30H34NO3+ |
|---|---|
| Molecular Weight | 456.25 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 456.25388 |
| Heavy Atoms | 34 |
| Complexity | 646.0 |
Chemical Identifiers
| CAS Number | 38971-12-9 |
|---|---|
| SMILES | C[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)CC4=CC=C(C=C4)C5=CC=CC=C5 |
| InChIKey | QDCILXFPWMMNQY-UHFFFAOYSA-N |
Product Overview
4-Biphenylmethyl-(tropyl-alpha-tropinium) (CAS 38971-12-9), with molecular formula C30H34NO3+ and molecular weight 456.25 g/mol. IUPAC: [8-methyl-8-[(4-phenylphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate.
Chemical Property Profile of 4-Biphenylmethyl-(tropyl-alpha-tropinium)
Property Insights of 4-Biphenylmethyl-(tropyl-alpha-tropinium)
The XLogP value of 5.0 indicates that 4-Biphenylmethyl-(tropyl-alpha-tropinium) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 4-Biphenylmethyl-(tropyl-alpha-tropinium) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Biphenylmethyl-(tropyl-alpha-tropinium) has 1 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 4-Biphenylmethyl-(tropyl-alpha-tropinium)?
The CAS number of 4-Biphenylmethyl-(tropyl-alpha-tropinium) is 38971-12-9.
What is the molecular formula of 4-Biphenylmethyl-(tropyl-alpha-tropinium)?
The molecular formula of 4-Biphenylmethyl-(tropyl-alpha-tropinium) is C30H34NO3+.
What is the molecular weight of 4-Biphenylmethyl-(tropyl-alpha-tropinium)?
The molecular weight of 4-Biphenylmethyl-(tropyl-alpha-tropinium) is 456.25 g/mol.
Where can I buy 4-Biphenylmethyl-(tropyl-alpha-tropinium)?
You can request a quote for 4-Biphenylmethyl-(tropyl-alpha-tropinium) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Biphenylmethyl-(tropyl-alpha-tropinium)?
Yes, KEHONG BIO provides custom synthesis services for 4-Biphenylmethyl-(tropyl-alpha-tropinium) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.