Diponium Bromide
TL;DR: Diponium Bromide (CAS 2001-81-2) is a chemical compound with molecular formula C20H38BrNO2 and molecular weight 403.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,2-dicyclopentylacetyl)oxyethyl-triethylazanium bromide
Also Known As: Diponium bromide, Unospaston, Spaston, Dipenine Bromide, Diponii bromidum
| Molecular Formula | C20H38BrNO2 |
|---|---|
| Molecular Weight | 403.21 g/mol |
| LogP | 1.41 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 403.2086 |
| Heavy Atoms | 24 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 2001-81-2 |
|---|---|
| SMILES | CC[N+](CC)(CC)CCOC(=O)C(C1CCCC1)C2CCCC2.[Br-] |
| InChIKey | ADZXDFALMZGPTN-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diponium Bromide (CAS 2001-81-2), with molecular formula C20H38BrNO2 and molecular weight 403.21 g/mol. IUPAC: 2-(2,2-dicyclopentylacetyl)oxyethyl-triethylazanium bromide.
Chemical Property Profile of Diponium Bromide
Property Insights of Diponium Bromide
The XLogP value of 1.41 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diponium Bromide. With a topological polar surface area (TPSA) of 26.3 Ų, Diponium Bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diponium Bromide 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 Diponium Bromide?
The CAS number of Diponium Bromide is 2001-81-2.
What is the molecular formula of Diponium Bromide?
The molecular formula of Diponium Bromide is C20H38BrNO2.
What is the molecular weight of Diponium Bromide?
The molecular weight of Diponium Bromide is 403.21 g/mol.
Where can I buy Diponium Bromide?
You can request a quote for Diponium Bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diponium Bromide?
Yes, KEHONG BIO provides custom synthesis services for Diponium Bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.