Darifenacin Hydrobromide
TL;DR: Darifenacin Hydrobromide (CAS 133099-07-7) is a chemical compound with molecular formula C28H31BrN2O2 and molecular weight 506.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;hydrobromide
Also Known As: Darifenacin hydrobromide, darifenacin HBr, Enablex, Emselex, Darilong
| Molecular Formula | C28H31BrN2O2 |
|---|---|
| Molecular Weight | 506.16 g/mol |
| LogP | 4.5354 |
| Topological Polar Surface Area | 55.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 506.1569 |
| Heavy Atoms | 33 |
| Complexity | 607.0 |
Chemical Identifiers
| CAS Number | 133099-07-7 |
|---|---|
| SMILES | C1CN(C[C@@H]1C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N)CCC4=CC5=C(C=C4)OCC5.Br |
| InChIKey | UQAVIASOPREUIT-VQIWEWKSSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Darifenacin Hydrobromide (CAS 133099-07-7), with molecular formula C28H31BrN2O2 and molecular weight 506.16 g/mol. IUPAC: 2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;hydrobromide.
Chemical Property Profile of Darifenacin Hydrobromide
Property Insights of Darifenacin Hydrobromide
The XLogP value of 4.5354 indicates that Darifenacin Hydrobromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.6 Ų, Darifenacin Hydrobromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Darifenacin Hydrobromide has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Darifenacin Hydrobromide?
The CAS number of Darifenacin Hydrobromide is 133099-07-7.
What is the molecular formula of Darifenacin Hydrobromide?
The molecular formula of Darifenacin Hydrobromide is C28H31BrN2O2.
What is the molecular weight of Darifenacin Hydrobromide?
The molecular weight of Darifenacin Hydrobromide is 506.16 g/mol.
Where can I buy Darifenacin Hydrobromide?
You can request a quote for Darifenacin Hydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Darifenacin Hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for Darifenacin Hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.