Orphenadrine Citrate
TL;DR: Orphenadrine Citrate (CAS 4682-36-4) is a chemical compound with molecular formula C24H31NO8 and molecular weight 461.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: Orphenadrine citrate, Norflex, Banflex, Flexon, Flexoject
| Molecular Formula | C24H31NO8 |
|---|---|
| Molecular Weight | 461.20 g/mol |
| LogP | 2.41 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 461.20496 |
| Heavy Atoms | 33 |
| Complexity | 500.0 |
| Solubility | >69.2 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 4682-36-4 |
|---|---|
| SMILES | CC1=CC=CC=C1C(C2=CC=CC=C2)OCCN(C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| InChIKey | MMMNTDFSPSQXJP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Orphenadrine Citrate (CAS 4682-36-4), with molecular formula C24H31NO8 and molecular weight 461.20 g/mol. IUPAC: N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of Orphenadrine Citrate
Property Insights of Orphenadrine Citrate
The XLogP value of 2.41 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Orphenadrine Citrate. The TPSA of 149.0 Ų indicates high polarity, suggesting Orphenadrine Citrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Orphenadrine Citrate has 4 hydrogen bond donor(s) and 8 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 Orphenadrine Citrate?
The CAS number of Orphenadrine Citrate is 4682-36-4.
What is the molecular formula of Orphenadrine Citrate?
The molecular formula of Orphenadrine Citrate is C24H31NO8.
What is the molecular weight of Orphenadrine Citrate?
The molecular weight of Orphenadrine Citrate is 461.20 g/mol.
Where can I buy Orphenadrine Citrate?
You can request a quote for Orphenadrine Citrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Orphenadrine Citrate?
Yes, KEHONG BIO provides custom synthesis services for Orphenadrine Citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.