苯佐那酯
TL;DR: 苯佐那酯 (CAS 104-31-4) is a chemical compound with molecular formula C30H53NO11 and molecular weight 603.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯佐那酯
2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-(butylamino)benzoate
Also Known As: Benzonatate, Benzononatine, Tessalon, Benzononantin, Exangit
| Molecular Formula | C30H53NO11 |
|---|---|
| Molecular Weight | 603.36 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 33 |
| Exact Mass | 603.3619 |
| Heavy Atoms | 42 |
| Complexity | 565.0 |
| Solubility | Soluble in most organic solvents except aliphatic hydrocarbons |
Chemical Identifiers
| CAS Number | 104-31-4 |
|---|---|
| SMILES | CCCCNC1=CC=C(C=C1)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC |
| InChIKey | MAFMQEKGGFWBAB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯佐那酯 (CAS 104-31-4), with molecular formula C30H53NO11 and molecular weight 603.36 g/mol. IUPAC: 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-(butylamino)benzoate.
Chemical Property Profile of 苯佐那酯
Property Insights of 苯佐那酯
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯佐那酯. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 苯佐那酯. Following Lipinski's Rule of Five, 苯佐那酯 has 1 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 苯佐那酯?
The CAS number of 苯佐那酯 is 104-31-4.
What is the molecular formula of 苯佐那酯?
The molecular formula of 苯佐那酯 is C30H53NO11.
What is the molecular weight of 苯佐那酯?
The molecular weight of 苯佐那酯 is 603.36 g/mol.
Where can I buy 苯佐那酯?
You can request a quote for 苯佐那酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯佐那酯?
Yes, KEHONG BIO provides custom synthesis services for 苯佐那酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.