Diclofensine
TL;DR: Diclofensine (CAS 67165-56-4) is a chemical compound with molecular formula C17H17Cl2NO and molecular weight 321.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4-dichlorophenyl)-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline
Also Known As: Diclofensine, Diclofensina, Diclofensinum, Moxifensin, hydrochloride
| Molecular Formula | C17H17Cl2NO |
|---|---|
| Molecular Weight | 321.07 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 321.06873 |
| Heavy Atoms | 21 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 67165-56-4 |
|---|---|
| SMILES | CN1CC(C2=C(C1)C=C(C=C2)OC)C3=CC(=C(C=C3)Cl)Cl |
| InChIKey | ZJDCGVDEEHWEIG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diclofensine (CAS 67165-56-4), with molecular formula C17H17Cl2NO and molecular weight 321.07 g/mol. IUPAC: 4-(3,4-dichlorophenyl)-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline.
Chemical Property Profile of Diclofensine
Property Insights of Diclofensine
The XLogP value of 4.5 indicates that Diclofensine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, Diclofensine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diclofensine has 0 hydrogen bond donor(s) and 2 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 Diclofensine?
The CAS number of Diclofensine is 67165-56-4.
What is the molecular formula of Diclofensine?
The molecular formula of Diclofensine is C17H17Cl2NO.
What is the molecular weight of Diclofensine?
The molecular weight of Diclofensine is 321.07 g/mol.
Where can I buy Diclofensine?
You can request a quote for Diclofensine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diclofensine?
Yes, KEHONG BIO provides custom synthesis services for Diclofensine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.