Difenoximide
TL;DR: Difenoximide (CAS 47806-92-8) is a chemical compound with molecular formula C32H31N3O4 and molecular weight 521.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,5-dioxopyrrolidin-1-yl) 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate
Also Known As: DIFENOXIMIDE, Difenoximida, Difenoximidum, Difenoximide [INN], n-hydroxysuccinimide diphenoxylate
| Molecular Formula | C32H31N3O4 |
|---|---|
| Molecular Weight | 521.23 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 521.23145 |
| Heavy Atoms | 39 |
| Complexity | 894.0 |
Chemical Identifiers
| CAS Number | 47806-92-8 |
|---|---|
| SMILES | C1CC(=O)N(C1=O)OC(=O)C2(CCN(CC2)CCC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5 |
| InChIKey | FTOLAXZXUUHQQX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Difenoximide (CAS 47806-92-8), with molecular formula C32H31N3O4 and molecular weight 521.23 g/mol. IUPAC: (2,5-dioxopyrrolidin-1-yl) 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate.
Chemical Property Profile of Difenoximide
Property Insights of Difenoximide
The XLogP value of 4.4 indicates that Difenoximide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Difenoximide. Following Lipinski's Rule of Five, Difenoximide has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Difenoximide?
The CAS number of Difenoximide is 47806-92-8.
What is the molecular formula of Difenoximide?
The molecular formula of Difenoximide is C32H31N3O4.
What is the molecular weight of Difenoximide?
The molecular weight of Difenoximide is 521.23 g/mol.
Where can I buy Difenoximide?
You can request a quote for Difenoximide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Difenoximide?
Yes, KEHONG BIO provides custom synthesis services for Difenoximide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.