苯甲地那铵
TL;DR: 苯甲地那铵 (CAS 3734-33-6) is a chemical compound with molecular formula C28H34N2O3 and molecular weight 446.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯甲地那铵
benzyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium benzoate
Also Known As: DENATONIUM BENZOATE, Bitrex, Aversion, Anispray, Gori
| Molecular Formula | C28H34N2O3 |
|---|---|
| Molecular Weight | 446.26 g/mol |
| LogP | 4.35 |
| Topological Polar Surface Area | 69.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 446.25696 |
| Heavy Atoms | 33 |
| Complexity | 473.0 |
Chemical Identifiers
| CAS Number | 3734-33-6 |
|---|---|
| SMILES | CC[N+](CC)(CC1=CC=CC=C1)CC(=O)NC2=C(C=CC=C2C)C.C1=CC=C(C=C1)C(=O)[O-] |
| InChIKey | VWTINHYPRWEBQY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯甲地那铵 (CAS 3734-33-6), with molecular formula C28H34N2O3 and molecular weight 446.26 g/mol. IUPAC: benzyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium benzoate.
Chemical Property Profile of 苯甲地那铵
Property Insights of 苯甲地那铵
The XLogP value of 4.35 indicates that 苯甲地那铵 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 苯甲地那铵. Following Lipinski's Rule of Five, 苯甲地那铵 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 苯甲地那铵?
The CAS number of 苯甲地那铵 is 3734-33-6.
What is the molecular formula of 苯甲地那铵?
The molecular formula of 苯甲地那铵 is C28H34N2O3.
What is the molecular weight of 苯甲地那铵?
The molecular weight of 苯甲地那铵 is 446.26 g/mol.
Where can I buy 苯甲地那铵?
You can request a quote for 苯甲地那铵 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯甲地那铵?
Yes, KEHONG BIO provides custom synthesis services for 苯甲地那铵 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.