N-Methyl-4-methyldiphenhydramine
TL;DR: N-Methyl-4-methyldiphenhydramine (CAS 116169-80-3) is a chemical compound with molecular formula C19H26INO and molecular weight 411.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]azanium iodide
Also Known As: QMDP, N-Methyl-4-methyldiphenhydramine, QMDP(+), trimethyl-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]azanium;iodide, 1-(2-benzhydryloxyethyl)-1-methylpyrrolidin-1-ium,iodide
| Molecular Formula | C19H26INO |
|---|---|
| Molecular Weight | 411.11 g/mol |
| LogP | 0.81122 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.1059 |
| Heavy Atoms | 22 |
| Complexity | 545.8979 |
Chemical Identifiers
| CAS Number | 116169-80-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(C2=CC=CC=C2)OCC[N+](C)(C)C.[I-] |
Product Overview
N-Methyl-4-methyldiphenhydramine (CAS 116169-80-3), with molecular formula C19H26INO and molecular weight 411.11 g/mol. IUPAC: trimethyl-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]azanium iodide.
Chemical Property Profile of N-Methyl-4-methyldiphenhydramine
Property Insights of N-Methyl-4-methyldiphenhydramine
The XLogP value of 0.81122 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Methyl-4-methyldiphenhydramine. With a topological polar surface area (TPSA) of 9.23 Ų, N-Methyl-4-methyldiphenhydramine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Methyl-4-methyldiphenhydramine has 0 hydrogen bond donor(s) and 1 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 N-Methyl-4-methyldiphenhydramine?
The CAS number of N-Methyl-4-methyldiphenhydramine is 116169-80-3.
What is the molecular formula of N-Methyl-4-methyldiphenhydramine?
The molecular formula of N-Methyl-4-methyldiphenhydramine is C19H26INO.
What is the molecular weight of N-Methyl-4-methyldiphenhydramine?
The molecular weight of N-Methyl-4-methyldiphenhydramine is 411.11 g/mol.
Where can I buy N-Methyl-4-methyldiphenhydramine?
You can request a quote for N-Methyl-4-methyldiphenhydramine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Methyl-4-methyldiphenhydramine?
Yes, KEHONG BIO provides custom synthesis services for N-Methyl-4-methyldiphenhydramine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.