Xenytropium bromide
TL;DR: Xenytropium bromide (CAS 511-55-7) is a chemical compound with molecular formula C30H34BrNO3 and molecular weight 535.17 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 bromide
Also Known As: Xenytropium bromide, Dendrepar, Gastripon, Gastropin, Xenytropiumbromid
| Molecular Formula | C30H34BrNO3 |
|---|---|
| Molecular Weight | 535.17 g/mol |
| LogP | 2.32 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 535.1722 |
| Heavy Atoms | 35 |
| Complexity | 646.0 |
Chemical Identifiers
| CAS Number | 511-55-7 |
|---|---|
| SMILES | C[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)CC4=CC=C(C=C4)C5=CC=CC=C5.[Br-] |
| InChIKey | KDXSSNBFSJKQMR-UHFFFAOYSA-M |
Product Overview
Xenytropium bromide (CAS 511-55-7), with molecular formula C30H34BrNO3 and molecular weight 535.17 g/mol. IUPAC: [8-methyl-8-[(4-phenylphenyl)methyl]-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate bromide.
Chemical Property Profile of Xenytropium bromide
Property Insights of Xenytropium bromide
The XLogP value of 2.32 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Xenytropium bromide. With a topological polar surface area (TPSA) of 46.5 Ų, Xenytropium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Xenytropium bromide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Xenytropium bromide?
The CAS number of Xenytropium bromide is 511-55-7.
What is the molecular formula of Xenytropium bromide?
The molecular formula of Xenytropium bromide is C30H34BrNO3.
What is the molecular weight of Xenytropium bromide?
The molecular weight of Xenytropium bromide is 535.17 g/mol.
Where can I buy Xenytropium bromide?
You can request a quote for Xenytropium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xenytropium bromide?
Yes, KEHONG BIO provides custom synthesis services for Xenytropium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.