2-Dimethylaminoethyl-2-methyl-benzhydryl ether citrate
TL;DR: 2-Dimethylaminoethyl-2-methyl-benzhydryl ether citrate (CAS 4724-58-7) 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.
3-carboxy-3,5-dihydroxy-5-oxopentanoate;dimethyl-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]azanium
Also Known As: Benhexal, Orphenadrine citrate, 4682-36-4{citrate}, 2-Dimethylaminoethyl-2-methyl-benzhydryl ether citrate, R-528
| Molecular Formula | C24H31NO8 |
|---|---|
| Molecular Weight | 461.20 g/mol |
| LogP | -0.34 |
| 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 |
Chemical Identifiers
| CAS Number | 4724-58-7 |
|---|---|
| SMILES | CC1=CC=CC=C1C(C2=CC=CC=C2)OCC[NH+](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
2-Dimethylaminoethyl-2-methyl-benzhydryl ether citrate (CAS 4724-58-7), with molecular formula C24H31NO8 and molecular weight 461.20 g/mol. IUPAC: 3-carboxy-3,5-dihydroxy-5-oxopentanoate;dimethyl-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]azanium.
Chemical Property Profile of 2-Dimethylaminoethyl-2-methyl-benzhydryl ether citrate
Property Insights of 2-Dimethylaminoethyl-2-methyl-benzhydryl ether citrate
The XLogP value of -0.34 indicates that 2-Dimethylaminoethyl-2-methyl-benzhydryl ether citrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 149.0 Ų indicates high polarity, suggesting 2-Dimethylaminoethyl-2-methyl-benzhydryl ether citrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Dimethylaminoethyl-2-methyl-benzhydryl ether 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 2-Dimethylaminoethyl-2-methyl-benzhydryl ether citrate?
The CAS number of 2-Dimethylaminoethyl-2-methyl-benzhydryl ether citrate is 4724-58-7.
What is the molecular formula of 2-Dimethylaminoethyl-2-methyl-benzhydryl ether citrate?
The molecular formula of 2-Dimethylaminoethyl-2-methyl-benzhydryl ether citrate is C24H31NO8.
What is the molecular weight of 2-Dimethylaminoethyl-2-methyl-benzhydryl ether citrate?
The molecular weight of 2-Dimethylaminoethyl-2-methyl-benzhydryl ether citrate is 461.20 g/mol.
Where can I buy 2-Dimethylaminoethyl-2-methyl-benzhydryl ether citrate?
You can request a quote for 2-Dimethylaminoethyl-2-methyl-benzhydryl ether citrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Dimethylaminoethyl-2-methyl-benzhydryl ether citrate?
Yes, KEHONG BIO provides custom synthesis services for 2-Dimethylaminoethyl-2-methyl-benzhydryl ether citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.