O-Demethyl-m-methyl orphenadrine
TL;DR: O-Demethyl-m-methyl orphenadrine (CAS 21945-86-8) is a chemical compound with molecular formula C18H23NO and molecular weight 269.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-2-[(3-methylphenyl)-phenylmethoxy]ethanamine
Also Known As: Orphenadrine impurity E, O-Demethyl-m-methyl orphenadrine, 3-Methyldiphenhydramine, ORPHENADRINE RELATED COMPOUND E, Diphenhydramine Impurity 23
| Molecular Formula | C18H23NO |
|---|---|
| Molecular Weight | 269.18 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 269.17798 |
| Heavy Atoms | 20 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 21945-86-8 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(C2=CC=CC=C2)OCCN(C)C |
| InChIKey | VSIVTUKDXUYWPL-UHFFFAOYSA-N |
Product Overview
O-Demethyl-m-methyl orphenadrine (CAS 21945-86-8), with molecular formula C18H23NO and molecular weight 269.18 g/mol. IUPAC: N,N-dimethyl-2-[(3-methylphenyl)-phenylmethoxy]ethanamine.
Chemical Property Profile of O-Demethyl-m-methyl orphenadrine
Property Insights of O-Demethyl-m-methyl orphenadrine
The XLogP value of 3.6 indicates that O-Demethyl-m-methyl orphenadrine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, O-Demethyl-m-methyl orphenadrine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-Demethyl-m-methyl orphenadrine 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 O-Demethyl-m-methyl orphenadrine?
The CAS number of O-Demethyl-m-methyl orphenadrine is 21945-86-8.
What is the molecular formula of O-Demethyl-m-methyl orphenadrine?
The molecular formula of O-Demethyl-m-methyl orphenadrine is C18H23NO.
What is the molecular weight of O-Demethyl-m-methyl orphenadrine?
The molecular weight of O-Demethyl-m-methyl orphenadrine is 269.18 g/mol.
Where can I buy O-Demethyl-m-methyl orphenadrine?
You can request a quote for O-Demethyl-m-methyl orphenadrine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Demethyl-m-methyl orphenadrine?
Yes, KEHONG BIO provides custom synthesis services for O-Demethyl-m-methyl orphenadrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.