Demelverine
TL;DR: Demelverine (CAS 13977-33-8) is a chemical compound with molecular formula C17H21N and molecular weight 239.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-2-phenyl-N-(2-phenylethyl)ethanamine
Also Known As: Demelverine, Demelverina, Demelverinum, Demelverin, Methphenethamine
| Molecular Formula | C17H21N |
|---|---|
| Molecular Weight | 239.17 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 239.1674 |
| Heavy Atoms | 18 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 13977-33-8 |
|---|---|
| SMILES | CN(CCC1=CC=CC=C1)CCC2=CC=CC=C2 |
| InChIKey | XVWQQNARVMHZBP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Demelverine (CAS 13977-33-8), with molecular formula C17H21N and molecular weight 239.17 g/mol. IUPAC: N-methyl-2-phenyl-N-(2-phenylethyl)ethanamine.
Chemical Property Profile of Demelverine
Property Insights of Demelverine
The XLogP value of 4.2 indicates that Demelverine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, Demelverine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Demelverine 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 Demelverine?
The CAS number of Demelverine is 13977-33-8.
What is the molecular formula of Demelverine?
The molecular formula of Demelverine is C17H21N.
What is the molecular weight of Demelverine?
The molecular weight of Demelverine is 239.17 g/mol.
Where can I buy Demelverine?
You can request a quote for Demelverine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Demelverine?
Yes, KEHONG BIO provides custom synthesis services for Demelverine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.