N-Desmethyldiphenhydramine
TL;DR: N-Desmethyldiphenhydramine (CAS 17471-10-2) is a chemical compound with molecular formula C16H19NO and molecular weight 241.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzhydryloxy-N-methylethanamine
Also Known As: 2-(Benzhydryloxy)-N-methylethanamine, N-Desmethyldiphenhydramine, Nordiphenhydramine, 2-(Diphenylmethoxy)-N-methylethylamine, Monodemethyldiphenhydramine
| Molecular Formula | C16H19NO |
|---|---|
| Molecular Weight | 241.15 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 21.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 241.14667 |
| Heavy Atoms | 18 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 17471-10-2 |
|---|---|
| SMILES | CNCCOC(C1=CC=CC=C1)C2=CC=CC=C2 |
| InChIKey | AGSLYHYWLYGAOU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Desmethyldiphenhydramine (CAS 17471-10-2), with molecular formula C16H19NO and molecular weight 241.15 g/mol. IUPAC: 2-benzhydryloxy-N-methylethanamine.
Chemical Property Profile of N-Desmethyldiphenhydramine
Property Insights of N-Desmethyldiphenhydramine
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Desmethyldiphenhydramine. With a topological polar surface area (TPSA) of 21.3 Ų, N-Desmethyldiphenhydramine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Desmethyldiphenhydramine has 1 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 N-Desmethyldiphenhydramine?
The CAS number of N-Desmethyldiphenhydramine is 17471-10-2.
What is the molecular formula of N-Desmethyldiphenhydramine?
The molecular formula of N-Desmethyldiphenhydramine is C16H19NO.
What is the molecular weight of N-Desmethyldiphenhydramine?
The molecular weight of N-Desmethyldiphenhydramine is 241.15 g/mol.
Where can I buy N-Desmethyldiphenhydramine?
You can request a quote for N-Desmethyldiphenhydramine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Desmethyldiphenhydramine?
Yes, KEHONG BIO provides custom synthesis services for N-Desmethyldiphenhydramine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.