Methaphenilene
TL;DR: Methaphenilene (CAS 493-78-7) is a chemical compound with molecular formula C15H20N2S and molecular weight 260.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-N'-phenyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
Also Known As: Methaphenilene, Diatrin, Metafenileno, Diatrin Base, Methaphenilenum
| Molecular Formula | C15H20N2S |
|---|---|
| Molecular Weight | 260.13 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 34.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 260.1347 |
| Heavy Atoms | 18 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 493-78-7 |
|---|---|
| SMILES | CN(C)CCN(CC1=CC=CS1)C2=CC=CC=C2 |
| InChIKey | LDYJXVUOVPVZKA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methaphenilene (CAS 493-78-7), with molecular formula C15H20N2S and molecular weight 260.13 g/mol. IUPAC: N,N-dimethyl-N'-phenyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine.
Chemical Property Profile of Methaphenilene
Property Insights of Methaphenilene
The XLogP value of 3.3 indicates that Methaphenilene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.7 Ų, Methaphenilene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methaphenilene has 0 hydrogen bond donor(s) and 3 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 Methaphenilene?
The CAS number of Methaphenilene is 493-78-7.
What is the molecular formula of Methaphenilene?
The molecular formula of Methaphenilene is C15H20N2S.
What is the molecular weight of Methaphenilene?
The molecular weight of Methaphenilene is 260.13 g/mol.
Where can I buy Methaphenilene?
You can request a quote for Methaphenilene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methaphenilene?
Yes, KEHONG BIO provides custom synthesis services for Methaphenilene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.