methylthiomethyl phenyl ether
TL;DR: methylthiomethyl phenyl ether (CAS 33839-99-5) is a chemical compound with molecular formula C28H45N3O and molecular weight 439.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-butan-2-yl-6-(dimethylamino)-2-naphthalen-1-ylhexyl]-2-(diethylamino)acetamide
Also Known As: methylthiomethyl phenyl ether, N-(2-BUTAN-2-YL-6-DIMETHYLAMINO-2-NAPHTHALEN-1-YL-HEXYL)-2-DIETHYLAMINO-ACETAMIDE, N-[2-butan-2-yl-6-(dimethylamino)-2-naphthalen-1-ylhexyl]-2-(diethylamino)acetamide, N-[2-(Butan-2-yl)-6-(dimethylamino)-2-(naphthalen-1-yl)hexyl]-N~2~,N~2~-diethylglycinamide
| Molecular Formula | C28H45N3O |
|---|---|
| Molecular Weight | 439.36 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 35.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 14 |
| Exact Mass | 439.35626 |
| Heavy Atoms | 32 |
| Complexity | 533.0 |
Chemical Identifiers
| CAS Number | 33839-99-5 |
|---|---|
| SMILES | CCC(C)C(CCCCN(C)C)(CNC(=O)CN(CC)CC)C1=CC=CC2=CC=CC=C21 |
| InChIKey | SBVNQBCCWDJJLR-UHFFFAOYSA-N |
Product Overview
methylthiomethyl phenyl ether (CAS 33839-99-5), with molecular formula C28H45N3O and molecular weight 439.36 g/mol. IUPAC: N-[2-butan-2-yl-6-(dimethylamino)-2-naphthalen-1-ylhexyl]-2-(diethylamino)acetamide.
Chemical Property Profile of methylthiomethyl phenyl ether
Property Insights of methylthiomethyl phenyl ether
The XLogP value of 6.3 indicates that methylthiomethyl phenyl ether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.6 Ų, methylthiomethyl phenyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methylthiomethyl phenyl ether has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methylthiomethyl phenyl ether?
The CAS number of methylthiomethyl phenyl ether is 33839-99-5.
What is the molecular formula of methylthiomethyl phenyl ether?
The molecular formula of methylthiomethyl phenyl ether is C28H45N3O.
What is the molecular weight of methylthiomethyl phenyl ether?
The molecular weight of methylthiomethyl phenyl ether is 439.36 g/mol.
Where can I buy methylthiomethyl phenyl ether?
You can request a quote for methylthiomethyl phenyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methylthiomethyl phenyl ether?
Yes, KEHONG BIO provides custom synthesis services for methylthiomethyl phenyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.