4-Methyldiphenhydramine
TL;DR: 4-Methyldiphenhydramine (CAS 19804-27-4) 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-[(4-methylphenyl)-phenylmethoxy]ethanamine
Also Known As: Toladryl, 4-Methyldiphenhydramine, p-Methyldiphenhydramine, Neo-benodine, Diphenhydramine Impurity B
| 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 | 252.0 |
Chemical Identifiers
| CAS Number | 19804-27-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(C2=CC=CC=C2)OCCN(C)C |
| InChIKey | PJUYQWIDNIAHIZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methyldiphenhydramine (CAS 19804-27-4), with molecular formula C18H23NO and molecular weight 269.18 g/mol. IUPAC: N,N-dimethyl-2-[(4-methylphenyl)-phenylmethoxy]ethanamine.
Chemical Property Profile of 4-Methyldiphenhydramine
Property Insights of 4-Methyldiphenhydramine
The XLogP value of 3.6 indicates that 4-Methyldiphenhydramine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, 4-Methyldiphenhydramine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyldiphenhydramine 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 4-Methyldiphenhydramine?
The CAS number of 4-Methyldiphenhydramine is 19804-27-4.
What is the molecular formula of 4-Methyldiphenhydramine?
The molecular formula of 4-Methyldiphenhydramine is C18H23NO.
What is the molecular weight of 4-Methyldiphenhydramine?
The molecular weight of 4-Methyldiphenhydramine is 269.18 g/mol.
Where can I buy 4-Methyldiphenhydramine?
You can request a quote for 4-Methyldiphenhydramine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyldiphenhydramine?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyldiphenhydramine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.